N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine

C10H19NO — CID 61441728

IUPACN-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
SMILESCCCCN(CC1CO1)C1CC1
InChIInChI=1S/C10H19NO/c1-2-3-6-11(9-4-5-9)7-10-8-12-10/h9-10H,2-8H2,1H3
InChIKeyZKVJPGVFIJFSBD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds6

About N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine

N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine (PubChem CID 61441728) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
PubChem CID61441728
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
SMILESCCCCN(CC1CO1)C1CC1
InChIInChI=1S/C10H19NO/c1-2-3-6-11(9-4-5-9)7-10-8-12-10/h9-10H,2-8H2,1H3
InChIKeyZKVJPGVFIJFSBD-UHFFFAOYSA-N
XLogP1.65
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
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-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine (CID 61441728) is N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine is CCCCN(CC1CO1)C1CC1.
What is the InChIKey of N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The InChIKey is ZKVJPGVFIJFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11(9-4-5-9)7-10-8-12-10/h9-10H,2-8H2,1H3.
What are the key properties of N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 61441728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).