[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine

C19H31N — CID 81012688

IUPAC[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C(C)C)CCC2CN)cc1C
InChIInChI=1S/C19H31N/c1-12(2)16-6-7-17(11-20)19(10-16)18-9-14(4)13(3)8-15(18)5/h8-9,12,16-17,19H,6-7,10-11,20H2,1-5H3
InChIKeyCVIPINCBTPLYKB-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds3

About [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine

[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine (PubChem CID 81012688) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
PubChem CID81012688
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C(C)C)CCC2CN)cc1C
InChIInChI=1S/C19H31N/c1-12(2)16-6-7-17(11-20)19(10-16)18-9-14(4)13(3)8-15(18)5/h8-9,12,16-17,19H,6-7,10-11,20H2,1-5H3
InChIKeyCVIPINCBTPLYKB-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
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-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine (CID 81012688) is [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine is Cc1cc(C)c(C2CC(C(C)C)CCC2CN)cc1C.
What is the InChIKey of [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine?
The InChIKey is CVIPINCBTPLYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-12(2)16-6-7-17(11-20)19(10-16)18-9-14(4)13(3)8-15(18)5/h8-9,12,16-17,19H,6-7,10-11,20H2,1-5H3.
What are the key properties of [4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine?
[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 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-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).