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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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).