(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine

C32H62N2 — CID 167038586

IUPAC(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine
SMILES[H]/N=C(\CCCCN(C)C)CC(CCC/C=C\CCCCC)C(CC)CCC/C=C\CCCCC
InChIInChI=1S/C32H62N2/c1-6-9-11-13-15-17-19-21-25-30(8-3)31(26-22-20-18-16-14-12-10-7-2)29-32(33)27-23-24-28-34(4)5/h15-18,30-31,33H,6-14,19-29H2,1-5H3/b17-15-,18-16-,33-32+
InChIKeyWWWQYVWYZNYGFF-XRMNNKKISA-N
MW474.86 g/mol
LogP10.38
Rot. Bonds25

About (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine

(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine (PubChem CID 167038586) has the molecular formula C32H62N2 and a molecular weight of 474.86 g/mol. Its IUPAC name is (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine.

Molecular Properties

Compound Name(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine
PubChem CID167038586
Molecular FormulaC32H62N2
Molecular Weight474.86 g/mol
Exact Mass474.49
IUPAC Name(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine
SMILES[H]/N=C(\CCCCN(C)C)CC(CCC/C=C\CCCCC)C(CC)CCC/C=C\CCCCC
InChIInChI=1S/C32H62N2/c1-6-9-11-13-15-17-19-21-25-30(8-3)31(26-22-20-18-16-14-12-10-7-2)29-32(33)27-23-24-28-34(4)5/h15-18,30-31,33H,6-14,19-29H2,1-5H3/b17-15-,18-16-,33-32+
InChIKeyWWWQYVWYZNYGFF-XRMNNKKISA-N
XLogP10.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 510.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine?
The IUPAC name of (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine (CID 167038586) is (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine.
What is the SMILES notation for (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine?
The canonical SMILES for (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine is [H]/N=C(\CCCCN(C)C)CC(CCC/C=C\CCCCC)C(CC)CCC/C=C\CCCCC.
What is the InChIKey of (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine?
The InChIKey is WWWQYVWYZNYGFF-XRMNNKKISA-N. The full InChI is InChI=1S/C32H62N2/c1-6-9-11-13-15-17-19-21-25-30(8-3)31(26-22-20-18-16-14-12-10-7-2)29-32(33)27-23-24-28-34(4)5/h15-18,30-31,33H,6-14,19-29H2,1-5H3/b17-15-,18-16-,33-32+.
What are the key properties of (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine?
(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine has a molecular weight of 474.86 g/mol, XLogP of 10.38, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine is sourced from PubChem (CID 167038586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).