(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine

C17H35N — CID 138525611

IUPAC(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine
SMILESC/C=C(/CC(C)CC)N(C)CCCCCC(C)C
InChIInChI=1S/C17H35N/c1-7-16(5)14-17(8-2)18(6)13-11-9-10-12-15(3)4/h8,15-16H,7,9-14H2,1-6H3/b17-8-
InChIKeyDKGXITHIFLBULJ-IUXPMGMMSA-N
MW253.47 g/mol
LogP5.47
Rot. Bonds10

About (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine

(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine (PubChem CID 138525611) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine
PubChem CID138525611
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine
SMILESC/C=C(/CC(C)CC)N(C)CCCCCC(C)C
InChIInChI=1S/C17H35N/c1-7-16(5)14-17(8-2)18(6)13-11-9-10-12-15(3)4/h8,15-16H,7,9-14H2,1-6H3/b17-8-
InChIKeyDKGXITHIFLBULJ-IUXPMGMMSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
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 (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine?
The IUPAC name of (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine (CID 138525611) is (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine.
What is the SMILES notation for (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine?
The canonical SMILES for (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine is C/C=C(/CC(C)CC)N(C)CCCCCC(C)C.
What is the InChIKey of (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine?
The InChIKey is DKGXITHIFLBULJ-IUXPMGMMSA-N. The full InChI is InChI=1S/C17H35N/c1-7-16(5)14-17(8-2)18(6)13-11-9-10-12-15(3)4/h8,15-16H,7,9-14H2,1-6H3/b17-8-.
What are the key properties of (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine?
(Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine has a molecular weight of 253.47 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,5-dimethyl-N-(6-methylheptyl)hept-2-en-3-amine is sourced from PubChem (CID 138525611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).