3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine

C7H16N2 — CID 154296752

IUPAC3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC1
InChIInChI=1S/C7H16N2/c1-8(2)4-3-5-9-6-7-9/h3-7H2,1-2H3
InChIKeyHAWAXBUHZZANHJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.25
Rot. Bonds4

About 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine

3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 154296752) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID154296752
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC1
InChIInChI=1S/C7H16N2/c1-8(2)4-3-5-9-6-7-9/h3-7H2,1-2H3
InChIKeyHAWAXBUHZZANHJ-UHFFFAOYSA-N
XLogP0.25
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
3-[4-[ethylidene(methyl)-λ4-sulfanyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 123416782
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N-[3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]propyl]-N-methylthiohydroxylamine
CID 138569345
1-[3-(dimethylamino)propyl]azetidin-3-ol
CID 115773117
2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
CID 57224817

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine (CID 154296752) is 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CC1.
What is the InChIKey of 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is HAWAXBUHZZANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-8(2)4-3-5-9-6-7-9/h3-7H2,1-2H3.
What are the key properties of 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine?
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 154296752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).