4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine

C18H29N — CID 81013816

IUPAC4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CCc2ccccc2)C1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-12-17(19)15(13-16)10-9-14-7-5-4-6-8-14/h4-8,15-17H,9-13,19H2,1-3H3
InChIKeyAJNNHGMINHRGOA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.41
Rot. Bonds3

About 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine

4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine (PubChem CID 81013816) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
PubChem CID81013816
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CCc2ccccc2)C1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-12-17(19)15(13-16)10-9-14-7-5-4-6-8-14/h4-8,15-17H,9-13,19H2,1-3H3
InChIKeyAJNNHGMINHRGOA-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine (CID 81013816) is 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(CCc2ccccc2)C1.
What is the InChIKey of 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine?
The InChIKey is AJNNHGMINHRGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-11-12-17(19)15(13-16)10-9-14-7-5-4-6-8-14/h4-8,15-17H,9-13,19H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine?
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 81013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).