N'-(azetidin-3-yl)-N-methylmethanediamine

C5H13N3 — CID 146263434

IUPACN'-(azetidin-3-yl)-N-methylmethanediamine
SMILESCNCNC1CNC1
InChIInChI=1S/C5H13N3/c1-6-4-8-5-2-7-3-5/h5-8H,2-4H2,1H3
InChIKeyVSOZCLFNVFHKRY-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.28
Rot. Bonds3

About N'-(azetidin-3-yl)-N-methylmethanediamine

N'-(azetidin-3-yl)-N-methylmethanediamine (PubChem CID 146263434) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N'-(azetidin-3-yl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(azetidin-3-yl)-N-methylmethanediamine
PubChem CID146263434
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN'-(azetidin-3-yl)-N-methylmethanediamine
SMILESCNCNC1CNC1
InChIInChI=1S/C5H13N3/c1-6-4-8-5-2-7-3-5/h5-8H,2-4H2,1H3
InChIKeyVSOZCLFNVFHKRY-UHFFFAOYSA-N
XLogP-1.28
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methylazetidin-3-amine;hydrochloride
CID 53313443
3-N,5-N-dimethylpiperidine-3,5-diamine
CID 143020328
1-(azetidin-3-yl)-2-methylhydrazine
CID 146386405
N-(2-methoxypropyl)azetidin-3-amine
CID 102695789
N-[(3-methylcyclopentyl)methyl]azetidin-3-amine
CID 107412080
4-(azetidin-3-ylamino)-3-methylbutan-1-ol
CID 66090650
2-(azetidin-3-yl)-N-methylethanamine;ethane
CID 156743825
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine
CID 176992220
2-(methylamino)-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 91159845
N-ethylpiperidin-3-amine
CID 21278340
N-(azetidin-3-yl)-2-methylbutanamide
CID 66188169

Frequently Asked Questions

What is the IUPAC name of N'-(azetidin-3-yl)-N-methylmethanediamine?
The IUPAC name of N'-(azetidin-3-yl)-N-methylmethanediamine (CID 146263434) is N'-(azetidin-3-yl)-N-methylmethanediamine.
What is the SMILES notation for N'-(azetidin-3-yl)-N-methylmethanediamine?
The canonical SMILES for N'-(azetidin-3-yl)-N-methylmethanediamine is CNCNC1CNC1.
What is the InChIKey of N'-(azetidin-3-yl)-N-methylmethanediamine?
The InChIKey is VSOZCLFNVFHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-6-4-8-5-2-7-3-5/h5-8H,2-4H2,1H3.
What are the key properties of N'-(azetidin-3-yl)-N-methylmethanediamine?
N'-(azetidin-3-yl)-N-methylmethanediamine has a molecular weight of 115.18 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(azetidin-3-yl)-N-methylmethanediamine is sourced from PubChem (CID 146263434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).