2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium

C17H37N4O+ — CID 58262501

IUPAC2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium
SMILES[H]/N=C(\C)CCCCCC(C)(N)C(=O)NCC[N+](C)(CC)CC
InChIInChI=1S/C17H36N4O/c1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18/h18H,6-14,19H2,1-5H3/p+1/b18-15+
InChIKeyOUWYVDTYWDBTHU-OBGWFSINSA-O
MW313.51 g/mol
LogP2.30
Rot. Bonds12

About 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium

2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium (PubChem CID 58262501) has the molecular formula C17H37N4O+ and a molecular weight of 313.51 g/mol. Its IUPAC name is 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium.

Molecular Properties

Compound Name2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium
PubChem CID58262501
Molecular FormulaC17H37N4O+
Molecular Weight313.51 g/mol
Exact Mass313.30
IUPAC Name2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium
SMILES[H]/N=C(\C)CCCCCC(C)(N)C(=O)NCC[N+](C)(CC)CC
InChIInChI=1S/C17H36N4O/c1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18/h18H,6-14,19H2,1-5H3/p+1/b18-15+
InChIKeyOUWYVDTYWDBTHU-OBGWFSINSA-O
XLogP2.30
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[2-(9-octyloctadecan-9-ylamino)ethyl]hexanamide
CID 22885302
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
4-lauramidoethyl-7-methyl-3,6-dihydro-2H-1,4-diazepin-5-one
CID 70550100
(2S)-2,6-diamino-N-[2-(decylamino)-2-octyldecyl]hexanamide
CID 88172901
N-(8-amino-3,6,10,13-tetrazabicyclo[6.6.6]icosan-1-yl)heptanamide
CID 90382620
N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
CID 90699694
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium?
The IUPAC name of 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium (CID 58262501) is 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium.
What is the SMILES notation for 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium?
The canonical SMILES for 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium is [H]/N=C(\C)CCCCCC(C)(N)C(=O)NCC[N+](C)(CC)CC.
What is the InChIKey of 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium?
The InChIKey is OUWYVDTYWDBTHU-OBGWFSINSA-O. The full InChI is InChI=1S/C17H36N4O/c1-6-21(5,7-2)14-13-20-16(22)17(4,19)12-10-8-9-11-15(3)18/h18H,6-14,19H2,1-5H3/p+1/b18-15+.
What are the key properties of 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium?
2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium has a molecular weight of 313.51 g/mol, XLogP of 2.30, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium is sourced from PubChem (CID 58262501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).