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

C9H20N2O — CID 139619215

IUPAC3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine
SMILESCC1OC1(CCCN)CCCN
InChIInChI=1S/C9H20N2O/c1-8-9(12-8,4-2-6-10)5-3-7-11/h8H,2-7,10-11H2,1H3
InChIKeyUGTYHVOTTPNHIP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds6

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

3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine (PubChem CID 139619215) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine
PubChem CID139619215
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine
SMILESCC1OC1(CCCN)CCCN
InChIInChI=1S/C9H20N2O/c1-8-9(12-8,4-2-6-10)5-3-7-11/h8H,2-7,10-11H2,1H3
InChIKeyUGTYHVOTTPNHIP-UHFFFAOYSA-N
XLogP0.62
TPSA64.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine (CID 139619215) is 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine is CC1OC1(CCCN)CCCN.
What is the InChIKey of 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine?
The InChIKey is UGTYHVOTTPNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-9(12-8,4-2-6-10)5-3-7-11/h8H,2-7,10-11H2,1H3.
What are the key properties of 3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine?
3-[2-(3-aminopropyl)-3-methyloxiran-2-yl]propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 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)-3-methyloxiran-2-yl]propan-1-amine is sourced from PubChem (CID 139619215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).