2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine

C19H31N — CID 91274350

IUPAC2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine
SMILESC=C(CC)C/N=C1\CCCC=C1CC1CCC(C)CC1
InChIInChI=1S/C19H31N/c1-4-15(2)14-20-19-8-6-5-7-18(19)13-17-11-9-16(3)10-12-17/h7,16-17H,2,4-6,8-14H2,1,3H3/b20-19+
InChIKeyURLKLFXAYWZQNM-FMQUCBEESA-N
MW273.46 g/mol
LogP5.72
Rot. Bonds5

About 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine

2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine (PubChem CID 91274350) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine
PubChem CID91274350
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine
SMILESC=C(CC)C/N=C1\CCCC=C1CC1CCC(C)CC1
InChIInChI=1S/C19H31N/c1-4-15(2)14-20-19-8-6-5-7-18(19)13-17-11-9-16(3)10-12-17/h7,16-17H,2,4-6,8-14H2,1,3H3/b20-19+
InChIKeyURLKLFXAYWZQNM-FMQUCBEESA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
3,5,5-trimethyl-N-(3,3,5-trimethylcyclohexyl)cyclohex-2-en-1-imine
CID 237383
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
9-Pentyl-1,2,3,4,6,7,8,10b-octahydrophenanthridine
CID 57098349
5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
7-Methyl-2,3,4,6,7,8-hexahydroquinoline
CID 85778147
5-Butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
CID 91242030
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
CID 91340343
3,4-dimethyl-N-(3,6,7-trimethyloct-5-en-4-yl)dodecan-2-imine
CID 123143028

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine?
The IUPAC name of 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine (CID 91274350) is 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine?
The canonical SMILES for 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine is C=C(CC)C/N=C1\CCCC=C1CC1CCC(C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine?
The InChIKey is URLKLFXAYWZQNM-FMQUCBEESA-N. The full InChI is InChI=1S/C19H31N/c1-4-15(2)14-20-19-8-6-5-7-18(19)13-17-11-9-16(3)10-12-17/h7,16-17H,2,4-6,8-14H2,1,3H3/b20-19+.
What are the key properties of 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine?
2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine has a molecular weight of 273.46 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 91274350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).