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

C10H20N2O — CID 82717506

IUPAC3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)C1CC1
InChIInChI=1S/C10H20N2O/c1-8-10(7-11,5-6-13-8)12(2)9-3-4-9/h8-9H,3-7,11H2,1-2H3
InChIKeyCRIHEIGVTXHETE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds3

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

3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine (PubChem CID 82717506) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
PubChem CID82717506
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)C1CC1
InChIInChI=1S/C10H20N2O/c1-8-10(7-11,5-6-13-8)12(2)9-3-4-9/h8-9H,3-7,11H2,1-2H3
InChIKeyCRIHEIGVTXHETE-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine (CID 82717506) is 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine is CC1OCCC1(CN)N(C)C1CC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine?
The InChIKey is CRIHEIGVTXHETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-10(7-11,5-6-13-8)12(2)9-3-4-9/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine?
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).