N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine

C13H19NO — CID 11030970

IUPACN-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)CC1CO1
InChIInChI=1S/C13H19NO/c1-11(2)14(9-13-10-15-13)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCTOXXLRUDZFYNZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds5

About N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine

N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine (PubChem CID 11030970) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine
PubChem CID11030970
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)CC1CO1
InChIInChI=1S/C13H19NO/c1-11(2)14(9-13-10-15-13)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCTOXXLRUDZFYNZ-UHFFFAOYSA-N
XLogP2.30
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine (CID 11030970) is N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccccc1)CC1CO1.
What is the InChIKey of N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The InChIKey is CTOXXLRUDZFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)14(9-13-10-15-13)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine?
N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxiran-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 11030970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).