(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine

C24H47NO — CID 143698054

IUPAC(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine
SMILESCC/C=C\C(=C/CCC(C)(C)CC)CC(C)CN(CCC)C[C@H](C)OC
InChIInChI=1S/C24H47NO/c1-9-12-14-23(15-13-16-24(6,7)11-3)18-21(4)19-25(17-10-2)20-22(5)26-8/h12,14-15,21-22H,9-11,13,16-20H2,1-8H3/b14-12-,23-15+/t21?,22-/m0/s1
InChIKeyTUNVRYFJGGKGDD-OHJFKOCZSA-N
MW365.65 g/mol
LogP6.87
Rot. Bonds15

About (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine

(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine (PubChem CID 143698054) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine
PubChem CID143698054
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine
SMILESCC/C=C\C(=C/CCC(C)(C)CC)CC(C)CN(CCC)C[C@H](C)OC
InChIInChI=1S/C24H47NO/c1-9-12-14-23(15-13-16-24(6,7)11-3)18-21(4)19-25(17-10-2)20-22(5)26-8/h12,14-15,21-22H,9-11,13,16-20H2,1-8H3/b14-12-,23-15+/t21?,22-/m0/s1
InChIKeyTUNVRYFJGGKGDD-OHJFKOCZSA-N
XLogP6.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine?
The IUPAC name of (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine (CID 143698054) is (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine.
What is the SMILES notation for (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine?
The canonical SMILES for (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine is CC/C=C\C(=C/CCC(C)(C)CC)CC(C)CN(CCC)C[C@H](C)OC.
What is the InChIKey of (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine?
The InChIKey is TUNVRYFJGGKGDD-OHJFKOCZSA-N. The full InChI is InChI=1S/C24H47NO/c1-9-12-14-23(15-13-16-24(6,7)11-3)18-21(4)19-25(17-10-2)20-22(5)26-8/h12,14-15,21-22H,9-11,13,16-20H2,1-8H3/b14-12-,23-15+/t21?,22-/m0/s1.
What are the key properties of (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine?
(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine has a molecular weight of 365.65 g/mol, XLogP of 6.87, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine is sourced from PubChem (CID 143698054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).