N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine

C19H31N — CID 123610926

IUPACN-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
SMILESCCC(C)C(=CC=C(C)C)/N=C1\C=CC(C)CC1(C)C
InChIInChI=1S/C19H31N/c1-8-16(5)17(11-9-14(2)3)20-18-12-10-15(4)13-19(18,6)7/h9-12,15-16H,8,13H2,1-7H3/b17-11?,20-18+
InChIKeyHLGNDLWKFBZMMI-VGLNNBEXSA-N
MW273.46 g/mol
LogP5.95
Rot. Bonds4

About N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine

N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine (PubChem CID 123610926) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
PubChem CID123610926
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
SMILESCCC(C)C(=CC=C(C)C)/N=C1\C=CC(C)CC1(C)C
InChIInChI=1S/C19H31N/c1-8-16(5)17(11-9-14(2)3)20-18-12-10-15(4)13-19(18,6)7/h9-12,15-16H,8,13H2,1-7H3/b17-11?,20-18+
InChIKeyHLGNDLWKFBZMMI-VGLNNBEXSA-N
XLogP5.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
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

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CID 19362341
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N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
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(8aR)-8a-methyl-3,9-dihydro-2H-acridine
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3-tert-butyl-1-N-[(Z)-pent-2-en-3-yl]cyclohexa-3,5-diene-1,2-diimine
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2-(4-Prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
CID 70231593
12,12-Dimethyl-10,12-dihydroindeno[2,1-b]carbazole
CID 86685012
2-But-2-enyl-2,3,4-trimethylcarbazole
CID 87320214
4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
CID 90688123
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
4-Tert-butyl-6-methyl-3-(2-methylpropyl)-1,6-di(propan-2-yl)cyclohepta[c]pyridine
CID 90837953
6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
CID 90959943

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine?
The IUPAC name of N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine (CID 123610926) is N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine is CCC(C)C(=CC=C(C)C)/N=C1\C=CC(C)CC1(C)C.
What is the InChIKey of N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine?
The InChIKey is HLGNDLWKFBZMMI-VGLNNBEXSA-N. The full InChI is InChI=1S/C19H31N/c1-8-16(5)17(11-9-14(2)3)20-18-12-10-15(4)13-19(18,6)7/h9-12,15-16H,8,13H2,1-7H3/b17-11?,20-18+.
What are the key properties of N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine?
N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine has a molecular weight of 273.46 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123610926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).