1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine

C20H33N — CID 90856571

IUPAC1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
SMILES[H]/N=C(/CCC1CCCC1)C(C)CC(C=CC)=CC=C(C)C
InChIInChI=1S/C20H33N/c1-5-8-19(12-11-16(2)3)15-17(4)20(21)14-13-18-9-6-7-10-18/h5,8,11-12,17-18,21H,6-7,9-10,13-15H2,1-4H3/b8-5?,19-12?,21-20-
InChIKeyXYPDGJMGJMOXMT-JXOHVDBCSA-N
MW287.49 g/mol
LogP6.47
Rot. Bonds8

About 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine

1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine (PubChem CID 90856571) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine.

Molecular Properties

Compound Name1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
PubChem CID90856571
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
SMILES[H]/N=C(/CCC1CCCC1)C(C)CC(C=CC)=CC=C(C)C
InChIInChI=1S/C20H33N/c1-5-8-19(12-11-16(2)3)15-17(4)20(21)14-13-18-9-6-7-10-18/h5,8,11-12,17-18,21H,6-7,9-10,13-15H2,1-4H3/b8-5?,19-12?,21-20-
InChIKeyXYPDGJMGJMOXMT-JXOHVDBCSA-N
XLogP6.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
2,3-Bis(5-methylhexan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 89287511
3,4-Dimethylnonadec-4-en-2-imine
CID 90701374

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine?
The IUPAC name of 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine (CID 90856571) is 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine.
What is the SMILES notation for 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine?
The canonical SMILES for 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine is [H]/N=C(/CCC1CCCC1)C(C)CC(C=CC)=CC=C(C)C.
What is the InChIKey of 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine?
The InChIKey is XYPDGJMGJMOXMT-JXOHVDBCSA-N. The full InChI is InChI=1S/C20H33N/c1-5-8-19(12-11-16(2)3)15-17(4)20(21)14-13-18-9-6-7-10-18/h5,8,11-12,17-18,21H,6-7,9-10,13-15H2,1-4H3/b8-5?,19-12?,21-20-.
What are the key properties of 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine?
1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine has a molecular weight of 287.49 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine is sourced from PubChem (CID 90856571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).