1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine

C19H31N — CID 63411290

IUPAC1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31N/c1-14(2)15-10-12-19(20,13-11-15)17-8-6-16(7-9-17)18(3,4)5/h6-9,14-15H,10-13,20H2,1-5H3
InChIKeyYAOHBTFFBOHIRZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.98
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine

1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63411290) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63411290
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31N/c1-14(2)15-10-12-19(20,13-11-15)17-8-6-16(7-9-17)18(3,4)5/h6-9,14-15H,10-13,20H2,1-5H3
InChIKeyYAOHBTFFBOHIRZ-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine (CID 63411290) is 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YAOHBTFFBOHIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)15-10-12-19(20,13-11-15)17-8-6-16(7-9-17)18(3,4)5/h6-9,14-15H,10-13,20H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine?
1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63411290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).