3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

C19H31N — CID 107876320

IUPAC3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCC(C)C(CNC1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)18(16-9-6-5-7-10-16)14-20-17-11-8-12-19(3,4)13-17/h5-7,9-10,15,17-18,20H,8,11-14H2,1-4H3
InChIKeySEUUNXXWSPIIOF-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.98
Rot. Bonds5

About 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (PubChem CID 107876320) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
PubChem CID107876320
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCC(C)C(CNC1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)18(16-9-6-5-7-10-16)14-20-17-11-8-12-19(3,4)13-17/h5-7,9-10,15,17-18,20H,8,11-14H2,1-4H3
InChIKeySEUUNXXWSPIIOF-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.98
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-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (CID 107876320) is 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is CC(C)C(CNC1CCCC(C)(C)C1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The InChIKey is SEUUNXXWSPIIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)18(16-9-6-5-7-10-16)14-20-17-11-8-12-19(3,4)13-17/h5-7,9-10,15,17-18,20H,8,11-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 107876320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).