3-(2-phenylaziridin-1-yl)propan-1-amine

C22H32N4 — CID 158362173

IUPAC3-(2-phenylaziridin-1-yl)propan-1-amine
SMILESNCCCN1CC1c1ccccc1.NCCCN1CC1c1ccccc1
InChIInChI=1S/2C11H16N2/c2*12-7-4-8-13-9-11(13)10-5-2-1-3-6-10/h2*1-3,5-6,11H,4,7-9,12H2
InChIKeyGTPJEAFKYZMVCC-UHFFFAOYSA-N
MW352.53 g/mol
LogP2.78
Rot. Bonds8

About 3-(2-phenylaziridin-1-yl)propan-1-amine

3-(2-phenylaziridin-1-yl)propan-1-amine (PubChem CID 158362173) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 3-(2-phenylaziridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-phenylaziridin-1-yl)propan-1-amine
PubChem CID158362173
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name3-(2-phenylaziridin-1-yl)propan-1-amine
SMILESNCCCN1CC1c1ccccc1.NCCCN1CC1c1ccccc1
InChIInChI=1S/2C11H16N2/c2*12-7-4-8-13-9-11(13)10-5-2-1-3-6-10/h2*1-3,5-6,11H,4,7-9,12H2
InChIKeyGTPJEAFKYZMVCC-UHFFFAOYSA-N
XLogP2.78
TPSA58.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
CID 68738607
CID 53230801
CID 53230801
1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
CID 105474530
4-(2-phenylaziridin-1-yl)butan-2-one
CID 561043
ethyl 8-(2-phenylaziridin-1-yl)oct-2-ynoate
CID 101379912
3-(3-phenyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 154295014
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylaziridin-1-yl)propan-1-amine?
The IUPAC name of 3-(2-phenylaziridin-1-yl)propan-1-amine (CID 158362173) is 3-(2-phenylaziridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-phenylaziridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-phenylaziridin-1-yl)propan-1-amine is NCCCN1CC1c1ccccc1.NCCCN1CC1c1ccccc1.
What is the InChIKey of 3-(2-phenylaziridin-1-yl)propan-1-amine?
The InChIKey is GTPJEAFKYZMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N2/c2*12-7-4-8-13-9-11(13)10-5-2-1-3-6-10/h2*1-3,5-6,11H,4,7-9,12H2.
What are the key properties of 3-(2-phenylaziridin-1-yl)propan-1-amine?
3-(2-phenylaziridin-1-yl)propan-1-amine has a molecular weight of 352.53 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylaziridin-1-yl)propan-1-amine is sourced from PubChem (CID 158362173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).