2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine

C19H31N — CID 79862070

IUPAC2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1cc(C)c(C(C)NC2CCCCC2(C)C)cc1C
InChIInChI=1S/C19H31N/c1-13-11-15(3)17(12-14(13)2)16(4)20-18-9-7-8-10-19(18,5)6/h11-12,16,18,20H,7-10H2,1-6H3
InChIKeyDKIDTJMKAJZJBR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.23
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine

2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 79862070) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
PubChem CID79862070
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1cc(C)c(C(C)NC2CCCCC2(C)C)cc1C
InChIInChI=1S/C19H31N/c1-13-11-15(3)17(12-14(13)2)16(4)20-18-9-7-8-10-19(18,5)6/h11-12,16,18,20H,7-10H2,1-6H3
InChIKeyDKIDTJMKAJZJBR-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79861830
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 107189233
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862054
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211
2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
CID 79862137
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine (CID 79862070) is 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine is Cc1cc(C)c(C(C)NC2CCCCC2(C)C)cc1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is DKIDTJMKAJZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13-11-15(3)17(12-14(13)2)16(4)20-18-9-7-8-10-19(18,5)6/h11-12,16,18,20H,7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine?
2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79862070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).