5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene

C27H53N — CID 166117737

IUPAC5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene
SMILESC=C(CCNCCC/C=C\CCCCCC)CC(CC)CCCCC.C=CC
InChIInChI=1S/C24H47N.C3H6/c1-5-8-10-11-12-13-14-15-17-20-25-21-19-23(4)22-24(7-3)18-16-9-6-2;1-3-2/h13-14,24-25H,4-12,15-22H2,1-3H3;3H,1H2,2H3/b14-13-;
InChIKeyOCYHAZMFLZCPQK-HPWRNOGASA-N
MW391.73 g/mol
LogP9.02
Rot. Bonds19

About 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene

5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene (PubChem CID 166117737) has the molecular formula C27H53N and a molecular weight of 391.73 g/mol. Its IUPAC name is 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene.

Molecular Properties

Compound Name5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene
PubChem CID166117737
Molecular FormulaC27H53N
Molecular Weight391.73 g/mol
Exact Mass391.42
IUPAC Name5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene
SMILESC=C(CCNCCC/C=C\CCCCCC)CC(CC)CCCCC.C=CC
InChIInChI=1S/C24H47N.C3H6/c1-5-8-10-11-12-13-14-15-17-20-25-21-19-23(4)22-24(7-3)18-16-9-6-2;1-3-2/h13-14,24-25H,4-12,15-22H2,1-3H3;3H,1H2,2H3/b14-13-;
InChIKeyOCYHAZMFLZCPQK-HPWRNOGASA-N
XLogP9.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.73
LogP ≤ 59.02
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'}

Analyze 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
CID 139380837
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
15,19-diethyltetracos-2-ene
CID 173194589
(Z)-N-propyltridec-4-en-1-amine
CID 174276526
(E)-5,22-diethylhexacos-11-ene
CID 173194569
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene?
The IUPAC name of 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene (CID 166117737) is 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene.
What is the SMILES notation for 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene?
The canonical SMILES for 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene is C=C(CCNCCC/C=C\CCCCCC)CC(CC)CCCCC.C=CC.
What is the InChIKey of 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene?
The InChIKey is OCYHAZMFLZCPQK-HPWRNOGASA-N. The full InChI is InChI=1S/C24H47N.C3H6/c1-5-8-10-11-12-13-14-15-17-20-25-21-19-23(4)22-24(7-3)18-16-9-6-2;1-3-2/h13-14,24-25H,4-12,15-22H2,1-3H3;3H,1H2,2H3/b14-13-;.
What are the key properties of 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene?
5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene has a molecular weight of 391.73 g/mol, XLogP of 9.02, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene is sourced from PubChem (CID 166117737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).