(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine

C24H49N — CID 126612643

IUPAC(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine
SMILESC/C=C(/CC(CCC)NCCC(C)CCC)C(C)CCCCCCC
InChIInChI=1S/C24H49N/c1-7-11-12-13-14-17-22(6)23(10-4)20-24(16-9-3)25-19-18-21(5)15-8-2/h10,21-22,24-25H,7-9,11-20H2,1-6H3/b23-10-
InChIKeyQUODACVGWADGSR-RMORIDSASA-N
MW351.66 g/mol
LogP7.90
Rot. Bonds17

About (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine

(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine (PubChem CID 126612643) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine
PubChem CID126612643
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine
SMILESC/C=C(/CC(CCC)NCCC(C)CCC)C(C)CCCCCCC
InChIInChI=1S/C24H49N/c1-7-11-12-13-14-17-22(6)23(10-4)20-24(16-9-3)25-19-18-21(5)15-8-2/h10,21-22,24-25H,7-9,11-20H2,1-6H3/b23-10-
InChIKeyQUODACVGWADGSR-RMORIDSASA-N
XLogP7.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine?
The IUPAC name of (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine (CID 126612643) is (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine.
What is the SMILES notation for (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine?
The canonical SMILES for (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine is C/C=C(/CC(CCC)NCCC(C)CCC)C(C)CCCCCCC.
What is the InChIKey of (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine?
The InChIKey is QUODACVGWADGSR-RMORIDSASA-N. The full InChI is InChI=1S/C24H49N/c1-7-11-12-13-14-17-22(6)23(10-4)20-24(16-9-3)25-19-18-21(5)15-8-2/h10,21-22,24-25H,7-9,11-20H2,1-6H3/b23-10-.
What are the key properties of (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine?
(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine has a molecular weight of 351.66 g/mol, XLogP of 7.90, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine is sourced from PubChem (CID 126612643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).