2-[(1R)-2,2-dimethylcyclohexyl]aniline

C14H21N — CID 125449181

IUPAC2-[(1R)-2,2-dimethylcyclohexyl]aniline
SMILESCC1(C)CCCC[C@H]1c1ccccc1N
InChIInChI=1S/C14H21N/c1-14(2)10-6-5-8-12(14)11-7-3-4-9-13(11)15/h3-4,7,9,12H,5-6,8,10,15H2,1-2H3/t12-/m0/s1
InChIKeyBABFLFRRCOOKML-LBPRGKRZSA-N
MW203.33 g/mol
LogP3.95
Rot. Bonds1

About 2-[(1R)-2,2-dimethylcyclohexyl]aniline

2-[(1R)-2,2-dimethylcyclohexyl]aniline (PubChem CID 125449181) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(1R)-2,2-dimethylcyclohexyl]aniline.

Molecular Properties

Compound Name2-[(1R)-2,2-dimethylcyclohexyl]aniline
PubChem CID125449181
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-[(1R)-2,2-dimethylcyclohexyl]aniline
SMILESCC1(C)CCCC[C@H]1c1ccccc1N
InChIInChI=1S/C14H21N/c1-14(2)10-6-5-8-12(14)11-7-3-4-9-13(11)15/h3-4,7,9,12H,5-6,8,10,15H2,1-2H3/t12-/m0/s1
InChIKeyBABFLFRRCOOKML-LBPRGKRZSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2,2-dimethylcyclohexyl]aniline
CID 125449178
2-(3,3,4,4-tetramethylcyclopentyl)aniline
CID 23142752
2-(2-cyclopropyl-2-methylcyclopropyl)aniline
CID 172722587
2-[(1S)-3,3-dimethylcyclohexyl]aniline
CID 125450095
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
N-(2,2-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 79866587
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
2-(3-methylcyclohexyl)aniline
CID 15340119
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
6-(2,2-dimethylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 107176876

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-dimethylcyclohexyl]aniline?
The IUPAC name of 2-[(1R)-2,2-dimethylcyclohexyl]aniline (CID 125449181) is 2-[(1R)-2,2-dimethylcyclohexyl]aniline.
What is the SMILES notation for 2-[(1R)-2,2-dimethylcyclohexyl]aniline?
The canonical SMILES for 2-[(1R)-2,2-dimethylcyclohexyl]aniline is CC1(C)CCCC[C@H]1c1ccccc1N.
What is the InChIKey of 2-[(1R)-2,2-dimethylcyclohexyl]aniline?
The InChIKey is BABFLFRRCOOKML-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2)10-6-5-8-12(14)11-7-3-4-9-13(11)15/h3-4,7,9,12H,5-6,8,10,15H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1R)-2,2-dimethylcyclohexyl]aniline?
2-[(1R)-2,2-dimethylcyclohexyl]aniline has a molecular weight of 203.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-dimethylcyclohexyl]aniline is sourced from PubChem (CID 125449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).