N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine

C17H33N — CID 81027467

IUPACN-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1C1CCCCC1CC
InChIInChI=1S/C17H33N/c1-3-14-9-5-7-11-16(14)17-12-8-6-10-15(17)13-18-4-2/h14-18H,3-13H2,1-2H3
InChIKeyLWNHYPDCLSSONG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds5

About N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine

N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine (PubChem CID 81027467) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
PubChem CID81027467
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1C1CCCCC1CC
InChIInChI=1S/C17H33N/c1-3-14-9-5-7-11-16(14)17-12-8-6-10-15(17)13-18-4-2/h14-18H,3-13H2,1-2H3
InChIKeyLWNHYPDCLSSONG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
2-(2-ethylcyclohexyl)cycloheptan-1-amine
CID 63861150
1-chloro-2-(2-ethylcyclohexyl)cyclohexane
CID 63861688
(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 146394237
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
cis-(1S,2S)-2-[(1S,2R)-2-ethylcyclohexyl]cyclopropane-1-carbaldehyde
CID 125425458
4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 164599276
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
CID 81028834
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine (CID 81027467) is N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1C1CCCCC1CC.
What is the InChIKey of N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine?
The InChIKey is LWNHYPDCLSSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-14-9-5-7-11-16(14)17-12-8-6-10-15(17)13-18-4-2/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine?
N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81027467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).