[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol

C13H25NO2 — CID 79138103

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
SMILESCC1CCC(CN)(C(O)C2CCCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10-4-5-13(7-10,9-14)12(15)11-3-2-6-16-8-11/h10-12,15H,2-9,14H2,1H3
InChIKeyRCXMWFNPWJSTBB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.54
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol (PubChem CID 79138103) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
PubChem CID79138103
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
SMILESCC1CCC(CN)(C(O)C2CCCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10-4-5-13(7-10,9-14)12(15)11-3-2-6-16-8-11/h10-12,15H,2-9,14H2,1H3
InChIKeyRCXMWFNPWJSTBB-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138934
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
[1-(aminomethyl)-3-ethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137690
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
CID 79138729
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
(1-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136175
[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133800
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
CID 79138322
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277857
(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol (CID 79138103) is [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol is CC1CCC(CN)(C(O)C2CCCOC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol?
The InChIKey is RCXMWFNPWJSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-4-5-13(7-10,9-14)12(15)11-3-2-6-16-8-11/h10-12,15H,2-9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol has a molecular weight of 227.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol is sourced from PubChem (CID 79138103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).