4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine

C18H34N2 — CID 167207524

IUPAC4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
SMILESC=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN
InChIInChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+
InChIKeyRMMPULWCJKEILL-FHLMLCIISA-N
MW278.48 g/mol
LogP4.76
Rot. Bonds11

About 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine

4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine (PubChem CID 167207524) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine.

Molecular Properties

Compound Name4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
PubChem CID167207524
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
SMILESC=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN
InChIInChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+
InChIKeyRMMPULWCJKEILL-FHLMLCIISA-N
XLogP4.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.76
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'}

Analyze 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-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

Related Compounds

2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91180465
2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91468924
7-Ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
CID 123172137
2-[(4-Propan-2-ylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123495440
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
CID 123745497
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine
CID 155273962
[6-[(3E,5Z)-2-cyclohepta-1,3,6-trien-1-yl-3-methylocta-3,5-dienyl]-2,3-dihydropyrazin-5-yl]methanamine
CID 166808997
2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine
CID 166906814
1-[[2-[(4-Ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-2,4-dien-1-ylidene]amino]-3-methylheptan-1-amine
CID 173965953
[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine
CID 174001512
(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine
CID 174113941

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The IUPAC name of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine (CID 167207524) is 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine.
What is the SMILES notation for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The canonical SMILES for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine is C=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN.
What is the InChIKey of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The InChIKey is RMMPULWCJKEILL-FHLMLCIISA-N. The full InChI is InChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+.
What are the key properties of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine is sourced from PubChem (CID 167207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).