4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine

C13H26N2 — CID 166955539

IUPAC4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCC1CNC1)N(CCC)CCC
InChIInChI=1S/C13H26N2/c1-4-8-15(9-5-2)12(3)6-7-13-10-14-11-13/h13-14H,3-11H2,1-2H3
InChIKeyGVEJYZMLNYARKP-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.62
Rot. Bonds8

About 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine

4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine (PubChem CID 166955539) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
PubChem CID166955539
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCC1CNC1)N(CCC)CCC
InChIInChI=1S/C13H26N2/c1-4-8-15(9-5-2)12(3)6-7-13-10-14-11-13/h13-14H,3-11H2,1-2H3
InChIKeyGVEJYZMLNYARKP-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine?
The IUPAC name of 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine (CID 166955539) is 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine.
What is the SMILES notation for 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine?
The canonical SMILES for 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine is C=C(CCC1CNC1)N(CCC)CCC.
What is the InChIKey of 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine?
The InChIKey is GVEJYZMLNYARKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-8-15(9-5-2)12(3)6-7-13-10-14-11-13/h13-14H,3-11H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine?
4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine is sourced from PubChem (CID 166955539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).