N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine

C19H31N — CID 107187850

IUPACN-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CCCCC1(C)C
InChIInChI=1S/C19H31N/c1-6-20-18(16-12-14(2)11-15(3)13-16)17-9-7-8-10-19(17,4)5/h11-13,17-18,20H,6-10H2,1-5H3
InChIKeyCLLLBAMXDYIYHJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.17
Rot. Bonds4

About N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 107187850) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID107187850
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CCCCC1(C)C
InChIInChI=1S/C19H31N/c1-6-20-18(16-12-14(2)11-15(3)13-16)17-9-7-8-10-19(17,4)5/h11-13,17-18,20H,6-10H2,1-5H3
InChIKeyCLLLBAMXDYIYHJ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine (CID 107187850) is N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is CLLLBAMXDYIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-20-18(16-12-14(2)11-15(3)13-16)17-9-7-8-10-19(17,4)5/h11-13,17-18,20H,6-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).