N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine

C12H26N2 — CID 107815980

IUPACN-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CNC1
InChIInChI=1S/C12H26N2/c1-3-5-6-11(4-2)7-13-8-12-9-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyPJTWGWRBMREDBN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds8

About N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine

N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine (PubChem CID 107815980) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine
PubChem CID107815980
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CNC1
InChIInChI=1S/C12H26N2/c1-3-5-6-11(4-2)7-13-8-12-9-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyPJTWGWRBMREDBN-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(azetidin-3-ylmethyl)-2-ethylhexan-1-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-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine (CID 107815980) is N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine is CCCCC(CC)CNCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine?
The InChIKey is PJTWGWRBMREDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-6-11(4-2)7-13-8-12-9-14-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine?
N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 107815980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).