2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol

C12H25NO — CID 79126495

IUPAC2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
SMILESCCC1CCC(CN)(C(C)(O)CC)C1
InChIInChI=1S/C12H25NO/c1-4-10-6-7-12(8-10,9-13)11(3,14)5-2/h10,14H,4-9,13H2,1-3H3
InChIKeyBSUHFBTXQBHSDK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol

2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol (PubChem CID 79126495) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
PubChem CID79126495
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
SMILESCCC1CCC(CN)(C(C)(O)CC)C1
InChIInChI=1S/C12H25NO/c1-4-10-6-7-12(8-10,9-13)11(3,14)5-2/h10,14H,4-9,13H2,1-3H3
InChIKeyBSUHFBTXQBHSDK-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]butan-2-ol
CID 79127863
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol
CID 79125696
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79124767

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol (CID 79126495) is 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol is CCC1CCC(CN)(C(C)(O)CC)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol?
The InChIKey is BSUHFBTXQBHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10-6-7-12(8-10,9-13)11(3,14)5-2/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol?
2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 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-ethylcyclopentyl]butan-2-ol is sourced from PubChem (CID 79126495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).