1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol

C12H23NO2 — CID 79123959

IUPAC1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)C1(CN)CCOCC1
InChIInChI=1S/C12H23NO2/c1-10-3-2-4-12(10,14)11(9-13)5-7-15-8-6-11/h10,14H,2-9,13H2,1H3
InChIKeyLSIMUUYSVVAUTQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.29
Rot. Bonds2

About 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol

1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol (PubChem CID 79123959) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol
PubChem CID79123959
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)C1(CN)CCOCC1
InChIInChI=1S/C12H23NO2/c1-10-3-2-4-12(10,14)11(9-13)5-7-15-8-6-11/h10,14H,2-9,13H2,1H3
InChIKeyLSIMUUYSVVAUTQ-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol (CID 79123959) is 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol is CC1CCCC1(O)C1(CN)CCOCC1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol?
The InChIKey is LSIMUUYSVVAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-3-2-4-12(10,14)11(9-13)5-7-15-8-6-11/h10,14H,2-9,13H2,1H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol?
1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79123959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).