1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine

C10H22N2O — CID 116913012

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
SMILESCCCC(N(C)C)C1(CN)COC1
InChIInChI=1S/C10H22N2O/c1-4-5-9(12(2)3)10(6-11)7-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeyQDFUTMYBUUMUGG-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine

1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine (PubChem CID 116913012) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
PubChem CID116913012
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
SMILESCCCC(N(C)C)C1(CN)COC1
InChIInChI=1S/C10H22N2O/c1-4-5-9(12(2)3)10(6-11)7-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeyQDFUTMYBUUMUGG-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
CID 141353079
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116913020
(3-butan-2-yloxetan-3-yl)methanamine
CID 139418018
[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
CID 79137738
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116913049
N,N-dimethyl-1-(2-methyloxiran-2-yl)dodecan-1-amine
CID 141350662
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
CID 116959550
1-(3-butyloxetan-3-yl)butan-1-ol
CID 68634297
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine (CID 116913012) is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine is CCCC(N(C)C)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine?
The InChIKey is QDFUTMYBUUMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-9(12(2)3)10(6-11)7-13-8-10/h9H,4-8,11H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine?
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 116913012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).