N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine

C8H18N2O — CID 169202617

IUPACN-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine
SMILESCNC1(CNC(C)C)COC1
InChIInChI=1S/C8H18N2O/c1-7(2)10-4-8(9-3)5-11-6-8/h7,9-10H,4-6H2,1-3H3
InChIKeyJQJRCLYGHOQUIA-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.03
Rot. Bonds4

About N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine

N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine (PubChem CID 169202617) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine
PubChem CID169202617
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine
SMILESCNC1(CNC(C)C)COC1
InChIInChI=1S/C8H18N2O/c1-7(2)10-4-8(9-3)5-11-6-8/h7,9-10H,4-6H2,1-3H3
InChIKeyJQJRCLYGHOQUIA-UHFFFAOYSA-N
XLogP-0.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(dimethylamino)methyl]-N-methyloxetan-3-amine
CID 178019982
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
CID 116870622
N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
CID 116870593
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)propan-2-amine
CID 116986826
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
CID 103743906
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
CID 82934192

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine?
The IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine (CID 169202617) is N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine.
What is the SMILES notation for N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine?
The canonical SMILES for N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine is CNC1(CNC(C)C)COC1.
What is the InChIKey of N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine?
The InChIKey is JQJRCLYGHOQUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-4-8(9-3)5-11-6-8/h7,9-10H,4-6H2,1-3H3.
What are the key properties of N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine?
N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine has a molecular weight of 158.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(propan-2-ylamino)methyl]oxetan-3-amine is sourced from PubChem (CID 169202617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).