2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine

C28H54N2 — CID 123367181

IUPAC2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
SMILES[H]/N=C(/CCNCC(CC)CCCCC(C)CCCC=C(C)CCC=C(C)C)C(C)C
InChIInChI=1S/C28H54N2/c1-8-27(22-30-21-20-28(29)24(4)5)19-12-11-17-25(6)15-9-10-16-26(7)18-13-14-23(2)3/h14,16,24-25,27,29-30H,8-13,15,17-22H2,1-7H3/b26-16?,29-28-
InChIKeyZXRNGHUGTNSAPF-YLXWNLCKSA-N
MW418.75 g/mol
LogP8.73
Rot. Bonds19

About 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine

2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine (PubChem CID 123367181) has the molecular formula C28H54N2 and a molecular weight of 418.75 g/mol. Its IUPAC name is 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
PubChem CID123367181
Molecular FormulaC28H54N2
Molecular Weight418.75 g/mol
Exact Mass418.43
IUPAC Name2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
SMILES[H]/N=C(/CCNCC(CC)CCCCC(C)CCCC=C(C)CCC=C(C)C)C(C)C
InChIInChI=1S/C28H54N2/c1-8-27(22-30-21-20-28(29)24(4)5)19-12-11-17-25(6)15-9-10-16-26(7)18-13-14-23(2)3/h14,16,24-25,27,29-30H,8-13,15,17-22H2,1-7H3/b26-16?,29-28-
InChIKeyZXRNGHUGTNSAPF-YLXWNLCKSA-N
XLogP8.73
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine with MolForge

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Related Compounds

2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
N-ethyl-4-methyloctadec-11-en-3-amine
CID 54151698
(9E)-2-methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722436
2-Methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722438
4-(12-Methyltridecan-4-yl)-1,2,3,6-tetrahydropyridine
CID 71089025
N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
CID 87646287
(Z)-1-N-(3-aminopropyl)-4-ethenyldocos-13-ene-1,3-diamine
CID 88672565
N,11-dimethyl-3-propyltridec-11-en-1-amine
CID 90700707
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
[6,8-Diethyl-9-methyl-1-(methylamino)dodec-7-en-4-yl]-trimethylazanium
CID 123160812
1-(4-hex-3-en-3-yl-2-imino-5-methylcyclohexyl)-N-methylmethanamine
CID 123165906

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine?
The IUPAC name of 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine (CID 123367181) is 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine?
The canonical SMILES for 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine is [H]/N=C(/CCNCC(CC)CCCCC(C)CCCC=C(C)CCC=C(C)C)C(C)C.
What is the InChIKey of 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine?
The InChIKey is ZXRNGHUGTNSAPF-YLXWNLCKSA-N. The full InChI is InChI=1S/C28H54N2/c1-8-27(22-30-21-20-28(29)24(4)5)19-12-11-17-25(6)15-9-10-16-26(7)18-13-14-23(2)3/h14,16,24-25,27,29-30H,8-13,15,17-22H2,1-7H3/b26-16?,29-28-.
What are the key properties of 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine?
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine has a molecular weight of 418.75 g/mol, XLogP of 8.73, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine is sourced from PubChem (CID 123367181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).