3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine

C20H33N — CID 107430055

IUPAC3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C20H33N/c1-15(2)12-18-6-5-11-20(21,14-18)13-17-7-9-19(10-8-17)16(3)4/h7-10,15-16,18H,5-6,11-14,21H2,1-4H3
InChIKeyGGPMMBVRFDDWIM-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.29
Rot. Bonds5

About 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine

3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 107430055) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID107430055
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C20H33N/c1-15(2)12-18-6-5-11-20(21,14-18)13-17-7-9-19(10-8-17)16(3)4/h7-10,15-16,18H,5-6,11-14,21H2,1-4H3
InChIKeyGGPMMBVRFDDWIM-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.29
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-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine (CID 107430055) is 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine is CC(C)CC1CCCC(N)(Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GGPMMBVRFDDWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)12-18-6-5-11-20(21,14-18)13-17-7-9-19(10-8-17)16(3)4/h7-10,15-16,18H,5-6,11-14,21H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107430055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).