N,2-di(propan-2-yl)cyclohexan-1-imine

C12H23N — CID 162470780

IUPACN,2-di(propan-2-yl)cyclohexan-1-imine
SMILESCC(C)/N=C1\CCCCC1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h9-11H,5-8H2,1-4H3/b13-12+
InChIKeyPJSQQHSGTJNLFG-OUKQBFOZSA-N
MW181.32 g/mol
LogP3.68
Rot. Bonds2

About N,2-di(propan-2-yl)cyclohexan-1-imine

N,2-di(propan-2-yl)cyclohexan-1-imine (PubChem CID 162470780) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,2-di(propan-2-yl)cyclohexan-1-imine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)cyclohexan-1-imine
PubChem CID162470780
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,2-di(propan-2-yl)cyclohexan-1-imine
SMILESCC(C)/N=C1\CCCCC1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h9-11H,5-8H2,1-4H3/b13-12+
InChIKeyPJSQQHSGTJNLFG-OUKQBFOZSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propan-2-ylcyclohexan-1-imine
CID 11263611
(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
CID 88593973
N-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylcyclopentan-1-imine
CID 175621522
ethane;1-methylidene-2-propan-2-ylcyclopentane
CID 142862595
(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine
CID 125476424
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
CID 140611088
2-(1-nitrosoethyl)cyclotridecan-1-one
CID 91250049
N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine
CID 145187952
(5S)-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170289723
1-chloro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 171768970
1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
CID 174620959
3-(2-hydroxyiminocyclopentyl)butanenitrile
CID 88510625

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)cyclohexan-1-imine?
The IUPAC name of N,2-di(propan-2-yl)cyclohexan-1-imine (CID 162470780) is N,2-di(propan-2-yl)cyclohexan-1-imine.
What is the SMILES notation for N,2-di(propan-2-yl)cyclohexan-1-imine?
The canonical SMILES for N,2-di(propan-2-yl)cyclohexan-1-imine is CC(C)/N=C1\CCCCC1C(C)C.
What is the InChIKey of N,2-di(propan-2-yl)cyclohexan-1-imine?
The InChIKey is PJSQQHSGTJNLFG-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h9-11H,5-8H2,1-4H3/b13-12+.
What are the key properties of N,2-di(propan-2-yl)cyclohexan-1-imine?
N,2-di(propan-2-yl)cyclohexan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)cyclohexan-1-imine is sourced from PubChem (CID 162470780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).