N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine

C8H18N2O — CID 118333573

IUPACN-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
SMILESCC(C)NOCC1CN(C)C1
InChIInChI=1S/C8H18N2O/c1-7(2)9-11-6-8-4-10(3)5-8/h7-9H,4-6H2,1-3H3
InChIKeyQALLNQXOFHSKGQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.48
Rot. Bonds4

About N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine

N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine (PubChem CID 118333573) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
PubChem CID118333573
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
SMILESCC(C)NOCC1CN(C)C1
InChIInChI=1S/C8H18N2O/c1-7(2)9-11-6-8-4-10(3)5-8/h7-9H,4-6H2,1-3H3
InChIKeyQALLNQXOFHSKGQ-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethoxy)propan-2-amine
CID 164734307
3-(2,2-difluoroethyl)-1-methylazetidine
CID 170595317
1-methyl-N-propan-2-ylazetidin-3-amine
CID 129045420
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
CID 177155893
1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane
CID 71100466
1-methyl-3-(4-methylpent-2-ynyl)azetidine
CID 176599152
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
3-(1-fluoroethyl)-1-methylazetidine
CID 158009968
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)
CID 160527663

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine?
The IUPAC name of N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine (CID 118333573) is N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine.
What is the SMILES notation for N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine?
The canonical SMILES for N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine is CC(C)NOCC1CN(C)C1.
What is the InChIKey of N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine?
The InChIKey is QALLNQXOFHSKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)9-11-6-8-4-10(3)5-8/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine?
N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine has a molecular weight of 158.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine is sourced from PubChem (CID 118333573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).