4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine

C19H36N2 — CID 166712353

IUPAC4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine
SMILESC=C/N=C(\CCCCC)C(C)C(C)NC(CC)CC(=C)C
InChIInChI=1S/C19H36N2/c1-8-11-12-13-19(20-10-3)16(6)17(7)21-18(9-2)14-15(4)5/h10,16-18,21H,3-4,8-9,11-14H2,1-2,5-7H3/b20-19+
InChIKeyFXDWHEUDEOYSEI-FMQUCBEESA-N
MW292.51 g/mol
LogP5.51
Rot. Bonds12

About 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine

4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine (PubChem CID 166712353) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine.

Molecular Properties

Compound Name4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine
PubChem CID166712353
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine
SMILESC=C/N=C(\CCCCC)C(C)C(C)NC(CC)CC(=C)C
InChIInChI=1S/C19H36N2/c1-8-11-12-13-19(20-10-3)16(6)17(7)21-18(9-2)14-15(4)5/h10,16-18,21H,3-4,8-9,11-14H2,1-2,5-7H3/b20-19+
InChIKeyFXDWHEUDEOYSEI-FMQUCBEESA-N
XLogP5.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine?
The IUPAC name of 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine (CID 166712353) is 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine.
What is the SMILES notation for 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine?
The canonical SMILES for 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine is C=C/N=C(\CCCCC)C(C)C(C)NC(CC)CC(=C)C.
What is the InChIKey of 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine?
The InChIKey is FXDWHEUDEOYSEI-FMQUCBEESA-N. The full InChI is InChI=1S/C19H36N2/c1-8-11-12-13-19(20-10-3)16(6)17(7)21-18(9-2)14-15(4)5/h10,16-18,21H,3-4,8-9,11-14H2,1-2,5-7H3/b20-19+.
What are the key properties of 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine?
4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine has a molecular weight of 292.51 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylimino-3-methyl-N-(5-methylhex-5-en-3-yl)nonan-2-amine is sourced from PubChem (CID 166712353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).