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

C19H31N — CID 79861249

IUPAC2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
SMILESCCCc1ccc(C(C)NC2CCCCC2(C)C)cc1
InChIInChI=1S/C19H31N/c1-5-8-16-10-12-17(13-11-16)15(2)20-18-9-6-7-14-19(18,3)4/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeySOIJXLOUXNITIW-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds5

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

2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 79861249) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
PubChem CID79861249
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
SMILESCCCc1ccc(C(C)NC2CCCCC2(C)C)cc1
InChIInChI=1S/C19H31N/c1-5-8-16-10-12-17(13-11-16)15(2)20-18-9-6-7-14-19(18,3)4/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeySOIJXLOUXNITIW-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine
CID 115728433
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine (CID 79861249) is 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine is CCCc1ccc(C(C)NC2CCCCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is SOIJXLOUXNITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-8-16-10-12-17(13-11-16)15(2)20-18-9-6-7-14-19(18,3)4/h10-13,15,18,20H,5-9,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine?
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 5 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-(4-propylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79861249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).