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

C19H31N — CID 63407409

IUPAC5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H31N/c1-13(2)16-7-9-17(10-8-16)19(20)12-15(5)6-11-18(19)14(3)4/h7-10,13-15,18H,6,11-12,20H2,1-5H3
InChIKeyUTHXFDOLCDBFLV-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.06
Rot. Bonds3

About 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine

5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 63407409) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID63407409
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H31N/c1-13(2)16-7-9-17(10-8-16)19(20)12-15(5)6-11-18(19)14(3)4/h7-10,13-15,18H,6,11-12,20H2,1-5H3
InChIKeyUTHXFDOLCDBFLV-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine (CID 63407409) is 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is UTHXFDOLCDBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)16-7-9-17(10-8-16)19(20)12-15(5)6-11-18(19)14(3)4/h7-10,13-15,18H,6,11-12,20H2,1-5H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine?
5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 63407409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).