N-hept-1-en-2-yl-8-methylnonan-1-amine

C17H35N — CID 130335373

IUPACN-hept-1-en-2-yl-8-methylnonan-1-amine
SMILESC=C(CCCCC)NCCCCCCCC(C)C
InChIInChI=1S/C17H35N/c1-5-6-10-14-17(4)18-15-12-9-7-8-11-13-16(2)3/h16,18H,4-15H2,1-3H3
InChIKeyLALFIHSQESVGOU-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.67
Rot. Bonds13

About N-hept-1-en-2-yl-8-methylnonan-1-amine

N-hept-1-en-2-yl-8-methylnonan-1-amine (PubChem CID 130335373) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-hept-1-en-2-yl-8-methylnonan-1-amine.

Molecular Properties

Compound NameN-hept-1-en-2-yl-8-methylnonan-1-amine
PubChem CID130335373
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-hept-1-en-2-yl-8-methylnonan-1-amine
SMILESC=C(CCCCC)NCCCCCCCC(C)C
InChIInChI=1S/C17H35N/c1-5-6-10-14-17(4)18-15-12-9-7-8-11-13-16(2)3/h16,18H,4-15H2,1-3H3
InChIKeyLALFIHSQESVGOU-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-2-yl-8-methylnonan-1-amine?
The IUPAC name of N-hept-1-en-2-yl-8-methylnonan-1-amine (CID 130335373) is N-hept-1-en-2-yl-8-methylnonan-1-amine.
What is the SMILES notation for N-hept-1-en-2-yl-8-methylnonan-1-amine?
The canonical SMILES for N-hept-1-en-2-yl-8-methylnonan-1-amine is C=C(CCCCC)NCCCCCCCC(C)C.
What is the InChIKey of N-hept-1-en-2-yl-8-methylnonan-1-amine?
The InChIKey is LALFIHSQESVGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-10-14-17(4)18-15-12-9-7-8-11-13-16(2)3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-hept-1-en-2-yl-8-methylnonan-1-amine?
N-hept-1-en-2-yl-8-methylnonan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-2-yl-8-methylnonan-1-amine is sourced from PubChem (CID 130335373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).