N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine

C12H24N2O — CID 103563096

IUPACN-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
SMILESCC1CC(CN)(N(C)C2CCOC2C)C1
InChIInChI=1S/C12H24N2O/c1-9-6-12(7-9,8-13)14(3)11-4-5-15-10(11)2/h9-11H,4-8,13H2,1-3H3
InChIKeyFXJGYFKZZTUYAP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.22
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine

N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine (PubChem CID 103563096) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
PubChem CID103563096
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
SMILESCC1CC(CN)(N(C)C2CCOC2C)C1
InChIInChI=1S/C12H24N2O/c1-9-6-12(7-9,8-13)14(3)11-4-5-15-10(11)2/h9-11H,4-8,13H2,1-3H3
InChIKeyFXJGYFKZZTUYAP-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine (CID 103563096) is N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine is CC1CC(CN)(N(C)C2CCOC2C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is FXJGYFKZZTUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-12(7-9,8-13)14(3)11-4-5-15-10(11)2/h9-11H,4-8,13H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine?
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 103563096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).