2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol

C15H31NO — CID 79135119

IUPAC2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
SMILESCCC1CCC(CN)(C(C)(O)C(C)CC)CC1
InChIInChI=1S/C15H31NO/c1-5-12(3)14(4,17)15(11-16)9-7-13(6-2)8-10-15/h12-13,17H,5-11,16H2,1-4H3
InChIKeyIOZGIKKFKNWWIX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.33
Rot. Bonds5

About 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol

2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol (PubChem CID 79135119) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
PubChem CID79135119
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
SMILESCCC1CCC(CN)(C(C)(O)C(C)CC)CC1
InChIInChI=1S/C15H31NO/c1-5-12(3)14(4,17)15(11-16)9-7-13(6-2)8-10-15/h12-13,17H,5-11,16H2,1-4H3
InChIKeyIOZGIKKFKNWWIX-UHFFFAOYSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
CID 79128025
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol
CID 79125696
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylpentan-2-ol
CID 79134924
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
CID 79127155
4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol
CID 114867229
2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79128010
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol
CID 79126755

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol (CID 79135119) is 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol is CCC1CCC(CN)(C(C)(O)C(C)CC)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol?
The InChIKey is IOZGIKKFKNWWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-12(3)14(4,17)15(11-16)9-7-13(6-2)8-10-15/h12-13,17H,5-11,16H2,1-4H3.
What are the key properties of 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol?
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol is sourced from PubChem (CID 79135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).