N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine

C20H33N — CID 107177413

IUPACN-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)C2CCCCC2(C)C)cc1
InChIInChI=1S/C20H33N/c1-5-9-16-11-13-17(14-12-16)19(21-6-2)18-10-7-8-15-20(18,3)4/h11-14,18-19,21H,5-10,15H2,1-4H3
InChIKeyQPHNYMBKWBLFCL-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.51
Rot. Bonds6

About N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine (PubChem CID 107177413) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
PubChem CID107177413
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)C2CCCCC2(C)C)cc1
InChIInChI=1S/C20H33N/c1-5-9-16-11-13-17(14-12-16)19(21-6-2)18-10-7-8-15-20(18,3)4/h11-14,18-19,21H,5-10,15H2,1-4H3
InChIKeyQPHNYMBKWBLFCL-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481
N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 65390054
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine (CID 107177413) is N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine is CCCc1ccc(C(NCC)C2CCCCC2(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The InChIKey is QPHNYMBKWBLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-9-16-11-13-17(14-12-16)19(21-6-2)18-10-7-8-15-20(18,3)4/h11-14,18-19,21H,5-10,15H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 107177413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).