[1-(2,6-diethylphenyl)cyclohexyl]methanamine

C17H27N — CID 117366409

IUPAC[1-(2,6-diethylphenyl)cyclohexyl]methanamine
SMILESCCc1cccc(CC)c1C1(CN)CCCCC1
InChIInChI=1S/C17H27N/c1-3-14-9-8-10-15(4-2)16(14)17(13-18)11-6-5-7-12-17/h8-10H,3-7,11-13,18H2,1-2H3
InChIKeyIZZPWBCHSSSGQQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.97
Rot. Bonds4

About [1-(2,6-diethylphenyl)cyclohexyl]methanamine

[1-(2,6-diethylphenyl)cyclohexyl]methanamine (PubChem CID 117366409) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [1-(2,6-diethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-diethylphenyl)cyclohexyl]methanamine
PubChem CID117366409
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[1-(2,6-diethylphenyl)cyclohexyl]methanamine
SMILESCCc1cccc(CC)c1C1(CN)CCCCC1
InChIInChI=1S/C17H27N/c1-3-14-9-8-10-15(4-2)16(14)17(13-18)11-6-5-7-12-17/h8-10H,3-7,11-13,18H2,1-2H3
InChIKeyIZZPWBCHSSSGQQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 117431185
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[4-(2-ethylphenyl)oxan-4-yl]methanamine
CID 83822192

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,6-diethylphenyl)cyclohexyl]methanamine (CID 117366409) is [1-(2,6-diethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,6-diethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,6-diethylphenyl)cyclohexyl]methanamine is CCc1cccc(CC)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(2,6-diethylphenyl)cyclohexyl]methanamine?
The InChIKey is IZZPWBCHSSSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-14-9-8-10-15(4-2)16(14)17(13-18)11-6-5-7-12-17/h8-10H,3-7,11-13,18H2,1-2H3.
What are the key properties of [1-(2,6-diethylphenyl)cyclohexyl]methanamine?
[1-(2,6-diethylphenyl)cyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117366409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).