N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine

C25H43N — CID 91378339

IUPACN-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine
SMILESC=C/C=N/CCC(=C)C(CC(=CCCCC)C(=C)CC)C(C)(CC)CC
InChIInChI=1S/C25H43N/c1-9-14-15-16-23(21(6)11-3)20-24(25(8,12-4)13-5)22(7)17-19-26-18-10-2/h10,16,18,24H,2,6-7,9,11-15,17,19-20H2,1,3-5,8H3/b23-16?,26-18+
InChIKeyGPAFGRJOWHFBJX-ZKSPBAGQSA-N
MW357.63 g/mol
LogP8.10
Rot. Bonds15

About N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine

N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine (PubChem CID 91378339) has the molecular formula C25H43N and a molecular weight of 357.63 g/mol. Its IUPAC name is N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine
PubChem CID91378339
Molecular FormulaC25H43N
Molecular Weight357.63 g/mol
Exact Mass357.34
IUPAC NameN-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine
SMILESC=C/C=N/CCC(=C)C(CC(=CCCCC)C(=C)CC)C(C)(CC)CC
InChIInChI=1S/C25H43N/c1-9-14-15-16-23(21(6)11-3)20-24(25(8,12-4)13-5)22(7)17-19-26-18-10-2/h10,16,18,24H,2,6-7,9,11-15,17,19-20H2,1,3-5,8H3/b23-16?,26-18+
InChIKeyGPAFGRJOWHFBJX-ZKSPBAGQSA-N
XLogP8.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.63
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Analyze N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine 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

Retinylidene methylnitrone
CID 6438537
Retinyl-BA
CID 6443214
all-trans-Retinylidene methyl nitrone
CID 6441215
(2E,4E,6E,8E)-N-butyl-3-tert-butyl-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 14078328
(2Z,4E)-3-methyl-N-propyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 101718035
(2Z,4E,6Z,8E)-N-butyl-3,7-difluoro-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10545623
(2E,4E,6Z,8E)-N-butyl-7-fluoro-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10641139
(2Z,4E,6E,8E)-N-butyl-3-fluoro-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10759823
(2E,4Z,6E,8E)-N-butyl-5-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 11792688
(2Z,4E,6E,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101622972
(2Z,4E,6E,8E)-2-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101622975
(2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 177399268

Frequently Asked Questions

What is the IUPAC name of N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine?
The IUPAC name of N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine (CID 91378339) is N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine is C=C/C=N/CCC(=C)C(CC(=CCCCC)C(=C)CC)C(C)(CC)CC.
What is the InChIKey of N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine?
The InChIKey is GPAFGRJOWHFBJX-ZKSPBAGQSA-N. The full InChI is InChI=1S/C25H43N/c1-9-14-15-16-23(21(6)11-3)20-24(25(8,12-4)13-5)22(7)17-19-26-18-10-2/h10,16,18,24H,2,6-7,9,11-15,17,19-20H2,1,3-5,8H3/b23-16?,26-18+.
What are the key properties of N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine?
N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine has a molecular weight of 357.63 g/mol, XLogP of 8.10, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine is sourced from PubChem (CID 91378339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).