2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal

C11H21NO2 — CID 79125297

IUPAC2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
SMILESCCC1CCC(CN)(C(C)(O)C=O)C1
InChIInChI=1S/C11H21NO2/c1-3-9-4-5-11(6-9,7-12)10(2,14)8-13/h8-9,14H,3-7,12H2,1-2H3
InChIKeyBEIPXCPQYGKDOT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.09
Rot. Bonds4

About 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal

2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal (PubChem CID 79125297) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
PubChem CID79125297
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
SMILESCCC1CCC(CN)(C(C)(O)C=O)C1
InChIInChI=1S/C11H21NO2/c1-3-9-4-5-11(6-9,7-12)10(2,14)8-13/h8-9,14H,3-7,12H2,1-2H3
InChIKeyBEIPXCPQYGKDOT-UHFFFAOYSA-N
XLogP1.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
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
2-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2-hydroxypropanal
CID 115338626
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
3-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybutanal
CID 79124686
2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-hydroxypropanal
CID 79125300
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal?
The IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal (CID 79125297) is 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal.
What is the SMILES notation for 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal?
The canonical SMILES for 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal is CCC1CCC(CN)(C(C)(O)C=O)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal?
The InChIKey is BEIPXCPQYGKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-4-5-11(6-9,7-12)10(2,14)8-13/h8-9,14H,3-7,12H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal?
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal has a molecular weight of 199.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal is sourced from PubChem (CID 79125297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).