(Z)-3,16-dimethyloctadec-9-en-1-amine

C20H41N — CID 87396265

IUPAC(Z)-3,16-dimethyloctadec-9-en-1-amine
SMILESCCC(C)CCCCC/C=C\CCCCCC(C)CCN
InChIInChI=1S/C20H41N/c1-4-19(2)15-13-11-9-7-5-6-8-10-12-14-16-20(3)17-18-21/h5-6,19-20H,4,7-18,21H2,1-3H3/b6-5-
InChIKeyZZPGFDMWKXXEGN-WAYWQWQTSA-N
MW295.55 g/mol
LogP6.47
Rot. Bonds15

About (Z)-3,16-dimethyloctadec-9-en-1-amine

(Z)-3,16-dimethyloctadec-9-en-1-amine (PubChem CID 87396265) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is (Z)-3,16-dimethyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-3,16-dimethyloctadec-9-en-1-amine
PubChem CID87396265
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC Name(Z)-3,16-dimethyloctadec-9-en-1-amine
SMILESCCC(C)CCCCC/C=C\CCCCCC(C)CCN
InChIInChI=1S/C20H41N/c1-4-19(2)15-13-11-9-7-5-6-8-10-12-14-16-20(3)17-18-21/h5-6,19-20H,4,7-18,21H2,1-3H3/b6-5-
InChIKeyZZPGFDMWKXXEGN-WAYWQWQTSA-N
XLogP6.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.55
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3,16-dimethyloctadec-9-en-1-amine?
The IUPAC name of (Z)-3,16-dimethyloctadec-9-en-1-amine (CID 87396265) is (Z)-3,16-dimethyloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-3,16-dimethyloctadec-9-en-1-amine?
The canonical SMILES for (Z)-3,16-dimethyloctadec-9-en-1-amine is CCC(C)CCCCC/C=C\CCCCCC(C)CCN.
What is the InChIKey of (Z)-3,16-dimethyloctadec-9-en-1-amine?
The InChIKey is ZZPGFDMWKXXEGN-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H41N/c1-4-19(2)15-13-11-9-7-5-6-8-10-12-14-16-20(3)17-18-21/h5-6,19-20H,4,7-18,21H2,1-3H3/b6-5-.
What are the key properties of (Z)-3,16-dimethyloctadec-9-en-1-amine?
(Z)-3,16-dimethyloctadec-9-en-1-amine has a molecular weight of 295.55 g/mol, XLogP of 6.47, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,16-dimethyloctadec-9-en-1-amine is sourced from PubChem (CID 87396265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).