N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine

C9H15NO — CID 163737433

IUPACN-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine
SMILESCC1OC1NC1(C2CC2)CC1
InChIInChI=1S/C9H15NO/c1-6-8(11-6)10-9(4-5-9)7-2-3-7/h6-8,10H,2-5H2,1H3
InChIKeyLEVQHKJBQKNBEY-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.26
Rot. Bonds3

About N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine

N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine (PubChem CID 163737433) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine
PubChem CID163737433
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC NameN-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine
SMILESCC1OC1NC1(C2CC2)CC1
InChIInChI=1S/C9H15NO/c1-6-8(11-6)10-9(4-5-9)7-2-3-7/h6-8,10H,2-5H2,1H3
InChIKeyLEVQHKJBQKNBEY-UHFFFAOYSA-N
XLogP1.26
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine?
The IUPAC name of N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine (CID 163737433) is N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine.
What is the SMILES notation for N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine?
The canonical SMILES for N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine is CC1OC1NC1(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine?
The InChIKey is LEVQHKJBQKNBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-8(11-6)10-9(4-5-9)7-2-3-7/h6-8,10H,2-5H2,1H3.
What are the key properties of N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine?
N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylcyclopropyl)-3-methyloxiran-2-amine is sourced from PubChem (CID 163737433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).