N-cyclohexylhexan-3-imine

C12H23N — CID 13140474

IUPACN-cyclohexylhexan-3-imine
SMILESCCC/C(CC)=N/C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h12H,3-10H2,1-2H3/b13-11+
InChIKeyZHQFIEOXYFLQDR-ACCUITESSA-N
MW181.32 g/mol
LogP3.97
Rot. Bonds4

About N-cyclohexylhexan-3-imine

N-cyclohexylhexan-3-imine (PubChem CID 13140474) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-cyclohexylhexan-3-imine.

Molecular Properties

Compound NameN-cyclohexylhexan-3-imine
PubChem CID13140474
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-cyclohexylhexan-3-imine
SMILESCCC/C(CC)=N/C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h12H,3-10H2,1-2H3/b13-11+
InChIKeyZHQFIEOXYFLQDR-ACCUITESSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.97
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-cyclohexylimino-N,N-dimethylbutan-1-amine
CID 123240449
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-cyclohexyl-1-tributylstannylpropan-1-imine
CID 10862873
N-cyclooctyl-1-triethylsilylethanimine
CID 101358854
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
CID 104888558
(1-cyclohexyl-2-ethylpent-1-enyl)cyclohexane
CID 172560766
N-cyclohexylethanimidoyl fluoride
CID 24977694
N-amino-N'-cyclohexyl-3-propoxypropanimidamide
CID 62717370
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
N-cyclotridecylpent-1-en-1-imine
CID 123463527
1-cycloheptylbutan-1-one
CID 54353743
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylhexan-3-imine?
The IUPAC name of N-cyclohexylhexan-3-imine (CID 13140474) is N-cyclohexylhexan-3-imine.
What is the SMILES notation for N-cyclohexylhexan-3-imine?
The canonical SMILES for N-cyclohexylhexan-3-imine is CCC/C(CC)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylhexan-3-imine?
The InChIKey is ZHQFIEOXYFLQDR-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h12H,3-10H2,1-2H3/b13-11+.
What are the key properties of N-cyclohexylhexan-3-imine?
N-cyclohexylhexan-3-imine has a molecular weight of 181.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylhexan-3-imine is sourced from PubChem (CID 13140474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).