4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine

C18H29N — CID 55186583

IUPAC4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC(C)c1ccc(C2(N)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29N/c1-13(2)15-5-7-17(8-6-15)18(19)11-9-16(10-12-18)14(3)4/h5-8,13-14,16H,9-12,19H2,1-4H3
InChIKeyLFUZMCCSLBLBTA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.81
Rot. Bonds3

About 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine

4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 55186583) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID55186583
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC(C)c1ccc(C2(N)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29N/c1-13(2)15-5-7-17(8-6-15)18(19)11-9-16(10-12-18)14(3)4/h5-8,13-14,16H,9-12,19H2,1-4H3
InChIKeyLFUZMCCSLBLBTA-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine (CID 55186583) is 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine is CC(C)c1ccc(C2(N)CCC(C(C)C)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is LFUZMCCSLBLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)15-5-7-17(8-6-15)18(19)11-9-16(10-12-18)14(3)4/h5-8,13-14,16H,9-12,19H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 55186583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).