2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol

C14H29NO — CID 79126503

IUPAC2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
SMILESCCC1CCCC(CN)(C(C)(O)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-12-7-6-8-14(9-12,10-15)13(4,16)11(2)3/h11-12,16H,5-10,15H2,1-4H3
InChIKeyKUHXLQOEPJLWSV-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol

2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol (PubChem CID 79126503) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
PubChem CID79126503
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
SMILESCCC1CCCC(CN)(C(C)(O)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-12-7-6-8-14(9-12,10-15)13(4,16)11(2)3/h11-12,16H,5-10,15H2,1-4H3
InChIKeyKUHXLQOEPJLWSV-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
CID 79127155
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
CID 79128025
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol (CID 79126503) is 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol is CCC1CCCC(CN)(C(C)(O)C(C)C)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol?
The InChIKey is KUHXLQOEPJLWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12-7-6-8-14(9-12,10-15)13(4,16)11(2)3/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol?
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol is sourced from PubChem (CID 79126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).