(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine

C18H37NO — CID 163403129

IUPAC(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine
SMILESCC/C(C)=C\CCCC(CCCCCOC)CCNC
InChIInChI=1S/C18H37NO/c1-5-17(2)11-8-9-13-18(14-15-19-3)12-7-6-10-16-20-4/h11,18-19H,5-10,12-16H2,1-4H3/b17-11-
InChIKeyNJMADPYMJVUWTP-BOPFTXTBSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds14

About (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine

(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine (PubChem CID 163403129) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine
PubChem CID163403129
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine
SMILESCC/C(C)=C\CCCC(CCCCCOC)CCNC
InChIInChI=1S/C18H37NO/c1-5-17(2)11-8-9-13-18(14-15-19-3)12-7-6-10-16-20-4/h11,18-19H,5-10,12-16H2,1-4H3/b17-11-
InChIKeyNJMADPYMJVUWTP-BOPFTXTBSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine?
The IUPAC name of (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine (CID 163403129) is (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine.
What is the SMILES notation for (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine?
The canonical SMILES for (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine is CC/C(C)=C\CCCC(CCCCCOC)CCNC.
What is the InChIKey of (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine?
The InChIKey is NJMADPYMJVUWTP-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-17(2)11-8-9-13-18(14-15-19-3)12-7-6-10-16-20-4/h11,18-19H,5-10,12-16H2,1-4H3/b17-11-.
What are the key properties of (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine?
(Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.95, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-methoxypentyl)-N,8-dimethyldec-7-en-1-amine is sourced from PubChem (CID 163403129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).