N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine

C14H30N2 — CID 107815892

IUPACN-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC(C)C1CNC1
InChIInChI=1S/C14H30N2/c1-4-6-7-13(5-2)9-15-8-12(3)14-10-16-11-14/h12-16H,4-11H2,1-3H3
InChIKeyUPFMSASEJGXUGP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.65
Rot. Bonds9

About N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine

N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine (PubChem CID 107815892) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine
PubChem CID107815892
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC(C)C1CNC1
InChIInChI=1S/C14H30N2/c1-4-6-7-13(5-2)9-15-8-12(3)14-10-16-11-14/h12-16H,4-11H2,1-3H3
InChIKeyUPFMSASEJGXUGP-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine (CID 107815892) is N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCC(C)C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine?
The InChIKey is UPFMSASEJGXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-7-13(5-2)9-15-8-12(3)14-10-16-11-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine?
N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)propyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 107815892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).