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

C14H29N — CID 81028834

IUPACN-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1CC(C)CC
InChIInChI=1S/C14H29N/c1-4-12(3)10-13-8-6-7-9-14(13)11-15-5-2/h12-15H,4-11H2,1-3H3
InChIKeyWMNPQOMOJVCGPK-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds6

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

N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine (PubChem CID 81028834) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
PubChem CID81028834
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1CC(C)CC
InChIInChI=1S/C14H29N/c1-4-12(3)10-13-8-6-7-9-14(13)11-15-5-2/h12-15H,4-11H2,1-3H3
InChIKeyWMNPQOMOJVCGPK-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427
1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
N-[(2-prop-2-enylcyclopentyl)methyl]ethanamine
CID 81034432
N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
CID 81027467
N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
CID 81018447
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
1-(2-methylbutyl)-2-propylcyclobutane
CID 90731668
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
N-[[2-(propoxymethyl)cycloheptyl]methyl]ethanamine
CID 81025294
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine (CID 81028834) is N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1CC(C)CC.
What is the InChIKey of N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine?
The InChIKey is WMNPQOMOJVCGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-12(3)10-13-8-6-7-9-14(13)11-15-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine?
N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81028834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).