4-[3-(dimethylamino)cyclohexyl]aniline

C14H22N2 — CID 142146048

IUPAC4-[3-(dimethylamino)cyclohexyl]aniline
SMILESCN(C)C1CCCC(c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-16(2)14-5-3-4-12(10-14)11-6-8-13(15)9-7-11/h6-9,12,14H,3-5,10,15H2,1-2H3
InChIKeyJWWVWJGLPQTYCS-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.86
Rot. Bonds2

About 4-[3-(dimethylamino)cyclohexyl]aniline

4-[3-(dimethylamino)cyclohexyl]aniline (PubChem CID 142146048) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[3-(dimethylamino)cyclohexyl]aniline.

Molecular Properties

Compound Name4-[3-(dimethylamino)cyclohexyl]aniline
PubChem CID142146048
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[3-(dimethylamino)cyclohexyl]aniline
SMILESCN(C)C1CCCC(c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-16(2)14-5-3-4-12(10-14)11-6-8-13(15)9-7-11/h6-9,12,14H,3-5,10,15H2,1-2H3
InChIKeyJWWVWJGLPQTYCS-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
CID 142165955
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine
CID 139448865
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
4-[(3S,5R)-3,5-dimethylcyclohexyl]aniline
CID 125449153
3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
CID 139448349
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
4-(4-tert-butylcyclohexyl)aniline
CID 141087341

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)cyclohexyl]aniline?
The IUPAC name of 4-[3-(dimethylamino)cyclohexyl]aniline (CID 142146048) is 4-[3-(dimethylamino)cyclohexyl]aniline.
What is the SMILES notation for 4-[3-(dimethylamino)cyclohexyl]aniline?
The canonical SMILES for 4-[3-(dimethylamino)cyclohexyl]aniline is CN(C)C1CCCC(c2ccc(N)cc2)C1.
What is the InChIKey of 4-[3-(dimethylamino)cyclohexyl]aniline?
The InChIKey is JWWVWJGLPQTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(2)14-5-3-4-12(10-14)11-6-8-13(15)9-7-11/h6-9,12,14H,3-5,10,15H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)cyclohexyl]aniline?
4-[3-(dimethylamino)cyclohexyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)cyclohexyl]aniline is sourced from PubChem (CID 142146048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).