7-methyl-N-(6-methylheptyl)oct-1-en-2-amine

C17H35N — CID 134386754

IUPAC7-methyl-N-(6-methylheptyl)oct-1-en-2-amine
SMILESC=C(CCCCC(C)C)NCCCCCC(C)C
InChIInChI=1S/C17H35N/c1-15(2)11-7-6-10-14-18-17(5)13-9-8-12-16(3)4/h15-16,18H,5-14H2,1-4H3
InChIKeyFWRQETCKKWMWDY-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.52
Rot. Bonds12

About 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine

7-methyl-N-(6-methylheptyl)oct-1-en-2-amine (PubChem CID 134386754) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine.

Molecular Properties

Compound Name7-methyl-N-(6-methylheptyl)oct-1-en-2-amine
PubChem CID134386754
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name7-methyl-N-(6-methylheptyl)oct-1-en-2-amine
SMILESC=C(CCCCC(C)C)NCCCCCC(C)C
InChIInChI=1S/C17H35N/c1-15(2)11-7-6-10-14-18-17(5)13-9-8-12-16(3)4/h15-16,18H,5-14H2,1-4H3
InChIKeyFWRQETCKKWMWDY-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.52
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 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine?
The IUPAC name of 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine (CID 134386754) is 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine.
What is the SMILES notation for 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine?
The canonical SMILES for 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine is C=C(CCCCC(C)C)NCCCCCC(C)C.
What is the InChIKey of 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine?
The InChIKey is FWRQETCKKWMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-15(2)11-7-6-10-14-18-17(5)13-9-8-12-16(3)4/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine?
7-methyl-N-(6-methylheptyl)oct-1-en-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(6-methylheptyl)oct-1-en-2-amine is sourced from PubChem (CID 134386754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).