3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine

C17H27N — CID 79763760

IUPAC3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1CCNC1CCCC(C)(C)C1
InChIInChI=1S/C17H27N/c1-14-7-4-5-8-15(14)10-12-18-16-9-6-11-17(2,3)13-16/h4-5,7-8,16,18H,6,9-13H2,1-3H3
InChIKeyOXMSPMDTTQKQJH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.10
Rot. Bonds4

About 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine

3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 79763760) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID79763760
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1CCNC1CCCC(C)(C)C1
InChIInChI=1S/C17H27N/c1-14-7-4-5-8-15(14)10-12-18-16-9-6-11-17(2,3)13-16/h4-5,7-8,16,18H,6,9-13H2,1-3H3
InChIKeyOXMSPMDTTQKQJH-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400894
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
3-ethyl-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79032945
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine
CID 70892649

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 79763760) is 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccccc1CCNC1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is OXMSPMDTTQKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-7-4-5-8-15(14)10-12-18-16-9-6-11-17(2,3)13-16/h4-5,7-8,16,18H,6,9-13H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79763760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).