N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide

C18H39N5O — CID 90699694

IUPACN-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
SMILES[H]/N=C(/CCC(=O)NCC(C)(C)NCCC(C)(C)NCCN)C(C)C
InChIInChI=1S/C18H39N5O/c1-14(2)15(20)7-8-16(24)21-13-18(5,6)22-11-9-17(3,4)23-12-10-19/h14,20,22-23H,7-13,19H2,1-6H3,(H,21,24)/b20-15-
InChIKeyFUASKUMJXPTBIW-HKWRFOASSA-N
MW341.54 g/mol
LogP1.64
Rot. Bonds13

About N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide

N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide (PubChem CID 90699694) has the molecular formula C18H39N5O and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide.

Molecular Properties

Compound NameN-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
PubChem CID90699694
Molecular FormulaC18H39N5O
Molecular Weight341.54 g/mol
Exact Mass341.32
IUPAC NameN-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
SMILES[H]/N=C(/CCC(=O)NCC(C)(C)NCCC(C)(C)NCCN)C(C)C
InChIInChI=1S/C18H39N5O/c1-14(2)15(20)7-8-16(24)21-13-18(5,6)22-11-9-17(3,4)23-12-10-19/h14,20,22-23H,7-13,19H2,1-6H3,(H,21,24)/b20-15-
InChIKeyFUASKUMJXPTBIW-HKWRFOASSA-N
XLogP1.64
TPSA103.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 51.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
CID 23400698
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(3-methylbutylamino)hexanamide
CID 23400717
3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide
CID 54493889
N-[(5S)-6-amino-5-methyl-6-oxohexyl]-N'-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-yl]pentanediamide
CID 58194827
2-[(2-Amino-8-imino-2-methylnonanoyl)amino]ethyl-diethyl-methylazanium
CID 58262501
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
CID 59811682
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(3-methylbutylamino)hexanamide
CID 60044748
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
CID 60044759
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(3-methylbutylamino)hexanamide
CID 88877308
(2S)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylhexanamide
CID 89364495
3-[[6-(butan-2-ylideneamino)-2-methylhexanoyl]amino]-N,N'-dimethylpentanediamide
CID 91460623
5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one
CID 123530246

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide?
The IUPAC name of N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide (CID 90699694) is N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide.
What is the SMILES notation for N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide?
The canonical SMILES for N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide is [H]/N=C(/CCC(=O)NCC(C)(C)NCCC(C)(C)NCCN)C(C)C.
What is the InChIKey of N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide?
The InChIKey is FUASKUMJXPTBIW-HKWRFOASSA-N. The full InChI is InChI=1S/C18H39N5O/c1-14(2)15(20)7-8-16(24)21-13-18(5,6)22-11-9-17(3,4)23-12-10-19/h14,20,22-23H,7-13,19H2,1-6H3,(H,21,24)/b20-15-.
What are the key properties of N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide?
N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide has a molecular weight of 341.54 g/mol, XLogP of 1.64, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide is sourced from PubChem (CID 90699694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).