3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

C10H16N2O — CID 22213998

IUPAC3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESc1coc(CNCCCN2CC2)c1
InChIInChI=1S/C10H16N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h1,3,8,11H,2,4-7,9H2
InChIKeyZKWKSMFFJAVYIJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.07
Rot. Bonds6

About 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 22213998) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID22213998
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESc1coc(CNCCCN2CC2)c1
InChIInChI=1S/C10H16N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h1,3,8,11H,2,4-7,9H2
InChIKeyZKWKSMFFJAVYIJ-UHFFFAOYSA-N
XLogP1.07
TPSA28.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-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

1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 22213998) is 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is c1coc(CNCCCN2CC2)c1.
What is the InChIKey of 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is ZKWKSMFFJAVYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h1,3,8,11H,2,4-7,9H2.
What are the key properties of 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 22213998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).