N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine

C13H28N2 — CID 164839056

IUPACN-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCN1C(C)CC1C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)14(11(3)4)7-8-15-12(5)9-13(15)6/h10-13H,7-9H2,1-6H3
InChIKeyXUUSGKKZUZEMCH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 164839056) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID164839056
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCN1C(C)CC1C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)14(11(3)4)7-8-15-12(5)9-13(15)6/h10-13H,7-9H2,1-6H3
InChIKeyXUUSGKKZUZEMCH-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-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-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 164839056) is N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCN1C(C)CC1C)C(C)C.
What is the InChIKey of N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is XUUSGKKZUZEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)14(11(3)4)7-8-15-12(5)9-13(15)6/h10-13H,7-9H2,1-6H3.
What are the key properties of N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 164839056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).