ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine

C17H39N3 — CID 142368232

IUPACethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
SMILESC=C(C)N1CC(N2CCN(C)CC2)C1.CC.CC.CC
InChIInChI=1S/C11H21N3.3C2H6/c1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;3*1-2/h11H,1,4-9H2,2-3H3;3*1-2H3
InChIKeyISJKGXFBVSROOP-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.53
Rot. Bonds2

About ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine

ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine (PubChem CID 142368232) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
PubChem CID142368232
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Nameethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
SMILESC=C(C)N1CC(N2CCN(C)CC2)C1.CC.CC.CC
InChIInChI=1S/C11H21N3.3C2H6/c1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;3*1-2/h11H,1,4-9H2,2-3H3;3*1-2H3
InChIKeyISJKGXFBVSROOP-UHFFFAOYSA-N
XLogP3.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine (CID 142368232) is ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine is C=C(C)N1CC(N2CCN(C)CC2)C1.CC.CC.CC.
What is the InChIKey of ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine?
The InChIKey is ISJKGXFBVSROOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.3C2H6/c1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;3*1-2/h11H,1,4-9H2,2-3H3;3*1-2H3.
What are the key properties of ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine?
ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine has a molecular weight of 285.52 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine is sourced from PubChem (CID 142368232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).