3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine

C8H18N2O — CID 56992646

IUPAC3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine
SMILESNCCCC1(CCCN)CO1
InChIInChI=1S/C8H18N2O/c9-5-1-3-8(7-11-8)4-2-6-10/h1-7,9-10H2
InChIKeyNKAJVLNIRSJBDW-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.23
Rot. Bonds6

About 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine

3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine (PubChem CID 56992646) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine
PubChem CID56992646
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine
SMILESNCCCC1(CCCN)CO1
InChIInChI=1S/C8H18N2O/c9-5-1-3-8(7-11-8)4-2-6-10/h1-7,9-10H2
InChIKeyNKAJVLNIRSJBDW-UHFFFAOYSA-N
XLogP0.23
TPSA64.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 22138593
CID 22138593
CID 57020491
CID 57020491
CID 57097644
CID 57097644
CID 88463840
CID 88463840
CID 139619215
CID 139619215
CID 140410278
CID 140410278
CID 153010708
CID 153010708
CID 131138343
CID 131138343
CID 165625357
CID 165625357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine (CID 56992646) is 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine is NCCCC1(CCCN)CO1.
What is the InChIKey of 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine?
The InChIKey is NKAJVLNIRSJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-5-1-3-8(7-11-8)4-2-6-10/h1-7,9-10H2.
What are the key properties of 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine?
3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)oxiran-2-yl]propan-1-amine is sourced from PubChem (CID 56992646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).