3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine

C12H24N2O — CID 82717798

IUPAC3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)C1CCCC1
InChIInChI=1S/C12H24N2O/c1-10-12(9-13,7-8-15-10)14(2)11-5-3-4-6-11/h10-11H,3-9,13H2,1-2H3
InChIKeyTZILPNRMIYUQRY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine

3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine (PubChem CID 82717798) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
PubChem CID82717798
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)C1CCCC1
InChIInChI=1S/C12H24N2O/c1-10-12(9-13,7-8-15-10)14(2)11-5-3-4-6-11/h10-11H,3-9,13H2,1-2H3
InChIKeyTZILPNRMIYUQRY-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine (CID 82717798) is 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine is CC1OCCC1(CN)N(C)C1CCCC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine?
The InChIKey is TZILPNRMIYUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-12(9-13,7-8-15-10)14(2)11-5-3-4-6-11/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine?
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82717798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).