3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine

C19H31N — CID 107430007

IUPAC3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(CCCc2ccccc2)C1
InChIInChI=1S/C19H31N/c1-16(2)14-18-11-7-13-19(20,15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyIIWJBNZDPKMJSB-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.94
Rot. Bonds6

About 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine

3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine (PubChem CID 107430007) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
PubChem CID107430007
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(CCCc2ccccc2)C1
InChIInChI=1S/C19H31N/c1-16(2)14-18-11-7-13-19(20,15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyIIWJBNZDPKMJSB-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine (CID 107430007) is 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(CCCc2ccccc2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine?
The InChIKey is IIWJBNZDPKMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)14-18-11-7-13-19(20,15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine?
3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107430007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).