2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride

C51H119Cl6N15O3+2 — CID 160716326

IUPAC2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride
SMILESCC[N+](C)(CC)CCNC(=O)C(C)(CCCCN)/N=C(\C)N.CC[N+](C)(CC)CCNC(=O)C(C)(N)CCCCCC(C)N.Cl.Cl.Cl.Cl.Cl.[Cl-].[H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCC[N+](C)(CC)CC
InChIInChI=1S/C18H38N6O.C17H38N4O.C16H35N5O.6ClH/c1-6-24(5,7-2)14-13-22-16(25)18(4,23-17(20)21)12-10-8-9-11-15(3)19;1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18;1-6-21(5,7-2)13-12-19-15(22)16(4,20-14(3)18)10-8-9-11-17;;;;;;/h19H,6-14H2,1-5H3,(H4-,20,21,22,23,25);15H,6-14,18-19H2,1-5H3;6-13,17H2,1-5H3,(H2-,18,19,20,22);6*1H/p+2/b19-15+;;;;;;;;
InChIKeyQTPSEKQKGFOPNW-IRXOPXGUSA-P
MW1203.33 g/mol
LogP3.18
Rot. Bonds36

About 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride

2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride (PubChem CID 160716326) has the molecular formula C51H119Cl6N15O3+2 and a molecular weight of 1203.33 g/mol. Its IUPAC name is 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride.

Molecular Properties

Compound Name2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride
PubChem CID160716326
Molecular FormulaC51H119Cl6N15O3+2
Molecular Weight1203.33 g/mol
Exact Mass1199.77
IUPAC Name2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride
SMILESCC[N+](C)(CC)CCNC(=O)C(C)(CCCCN)/N=C(\C)N.CC[N+](C)(CC)CCNC(=O)C(C)(N)CCCCCC(C)N.Cl.Cl.Cl.Cl.Cl.[Cl-].[H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCC[N+](C)(CC)CC
InChIInChI=1S/C18H38N6O.C17H38N4O.C16H35N5O.6ClH/c1-6-24(5,7-2)14-13-22-16(25)18(4,23-17(20)21)12-10-8-9-11-15(3)19;1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18;1-6-21(5,7-2)13-12-19-15(22)16(4,20-14(3)18)10-8-9-11-17;;;;;;/h19H,6-14H2,1-5H3,(H4-,20,21,22,23,25);15H,6-14,18-19H2,1-5H3;6-13,17H2,1-5H3,(H2-,18,19,20,22);6*1H/p+2/b19-15+;;;;;;;;
InChIKeyQTPSEKQKGFOPNW-IRXOPXGUSA-P
XLogP3.18
TPSA291.99 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.33
LogP ≤ 53.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[5-[[2-amino-6-(1-aminoethylideneamino)-2-methylhexanoyl]amino]pentyl]-6-(1-aminoethylideneamino)-2-methylhexanamide;tetrahydrochloride
CID 9830412
2-[(2,8-Diamino-8-imino-2-methyloctanoyl)amino]ethyl-diethyl-methylazanium
CID 58262499
2-[[8-Amino-2-(1-aminoethylideneamino)-8-imino-2-methyloctanoyl]amino]ethyl-diethyl-methylazanium
CID 58262503
2-[[2-(Diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium
CID 58264357
2-[(2,8-Diamino-8-imino-2-methyloctanoyl)amino]ethyl-diethyl-methylazanium;dihydrochloride
CID 123161262
2-[[2-(Diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;hydrochloride
CID 123237936
2-[(2-Amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;hydrochloride
CID 123721188
2-[[8-Amino-2-(1-aminoethylideneamino)-8-imino-2-methyloctanoyl]amino]ethyl-diethyl-methylazanium;hydrochloride
CID 124035463
(2S,6S)-6-[(2-aminoacetyl)amino]-N-[(2S)-1-[(1-amino-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-10-ethyl-12-imino-3,4,13-trimethyl-2-(2-methylpropyl)pentadecanamide
CID 156124374
2-[(2,8-Diamino-8-imino-2-methyloctanoyl)amino]ethyl-diethyl-methylazanium;trihydrochloride
CID 157207665
2-[[6-Amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;dihydrochloride
CID 157302484
2-amino-6-[[2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]-N-dodecyl-N-tetradecylhexanamide trichloride
CID 158562084

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride?
The IUPAC name of 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride (CID 160716326) is 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride.
What is the SMILES notation for 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride?
The canonical SMILES for 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride is CC[N+](C)(CC)CCNC(=O)C(C)(CCCCN)/N=C(\C)N.CC[N+](C)(CC)CCNC(=O)C(C)(N)CCCCCC(C)N.Cl.Cl.Cl.Cl.Cl.[Cl-].[H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCC[N+](C)(CC)CC.
What is the InChIKey of 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride?
The InChIKey is QTPSEKQKGFOPNW-IRXOPXGUSA-P. The full InChI is InChI=1S/C18H38N6O.C17H38N4O.C16H35N5O.6ClH/c1-6-24(5,7-2)14-13-22-16(25)18(4,23-17(20)21)12-10-8-9-11-15(3)19;1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18;1-6-21(5,7-2)13-12-19-15(22)16(4,20-14(3)18)10-8-9-11-17;;;;;;/h19H,6-14H2,1-5H3,(H4-,20,21,22,23,25);15H,6-14,18-19H2,1-5H3;6-13,17H2,1-5H3,(H2-,18,19,20,22);6*1H/p+2/b19-15+;;;;;;;;.
What are the key properties of 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride?
2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride has a molecular weight of 1203.33 g/mol, XLogP of 3.18, 36 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(1-aminoethylideneamino)-2-methylhexanoyl]amino]ethyl-diethyl-methylazanium;2-[[2-(diaminomethylideneamino)-8-imino-2-methylnonanoyl]amino]ethyl-diethyl-methylazanium;2-[(2,8-diamino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium;chloride;pentahydrochloride is sourced from PubChem (CID 160716326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).