3-(2,3-dimethylaziridin-1-yl)propan-1-amine

C7H16N2 — CID 139518668

IUPAC3-(2,3-dimethylaziridin-1-yl)propan-1-amine
SMILESCC1C(C)N1CCCN
InChIInChI=1S/C7H16N2/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5,8H2,1-2H3
InChIKeyDCCJHCOPIGOVDX-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds3

About 3-(2,3-dimethylaziridin-1-yl)propan-1-amine

3-(2,3-dimethylaziridin-1-yl)propan-1-amine (PubChem CID 139518668) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-(2,3-dimethylaziridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylaziridin-1-yl)propan-1-amine
PubChem CID139518668
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-(2,3-dimethylaziridin-1-yl)propan-1-amine
SMILESCC1C(C)N1CCCN
InChIInChI=1S/C7H16N2/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5,8H2,1-2H3
InChIKeyDCCJHCOPIGOVDX-UHFFFAOYSA-N
XLogP0.43
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
1-(3-chloropropyl)-2,3-dimethylaziridine
CID 54216139
2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 20569147
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
CID 54370845
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 67435897
3-(3-methylazecan-1-yl)propan-1-amine
CID 10680071
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylaziridin-1-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dimethylaziridin-1-yl)propan-1-amine (CID 139518668) is 3-(2,3-dimethylaziridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylaziridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dimethylaziridin-1-yl)propan-1-amine is CC1C(C)N1CCCN.
What is the InChIKey of 3-(2,3-dimethylaziridin-1-yl)propan-1-amine?
The InChIKey is DCCJHCOPIGOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3-(2,3-dimethylaziridin-1-yl)propan-1-amine?
3-(2,3-dimethylaziridin-1-yl)propan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylaziridin-1-yl)propan-1-amine is sourced from PubChem (CID 139518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).