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

C20H33N — CID 65390054

IUPACN-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C20H33N/c1-5-7-16-8-10-17(11-9-16)19(21-6-2)18-12-14-20(3,4)15-13-18/h8-11,18-19,21H,5-7,12-15H2,1-4H3
InChIKeyPUHLHLKIDYEQAR-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.51
Rot. Bonds6

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

N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine (PubChem CID 65390054) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
PubChem CID65390054
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C20H33N/c1-5-7-16-8-10-17(11-9-16)19(21-6-2)18-12-14-20(3,4)15-13-18/h8-11,18-19,21H,5-7,12-15H2,1-4H3
InChIKeyPUHLHLKIDYEQAR-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-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
CID 116957004
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
N-[(3-ethylcyclopentyl)-(4-ethylphenyl)methyl]ethanamine
CID 65411617

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine (CID 65390054) is N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine is CCCc1ccc(C(NCC)C2CCC(C)(C)CC2)cc1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
The InChIKey is PUHLHLKIDYEQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-7-16-8-10-17(11-9-16)19(21-6-2)18-12-14-20(3,4)15-13-18/h8-11,18-19,21H,5-7,12-15H2,1-4H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine?
N-[(4,4-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-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 65390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).