N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine

C16H33N3 — CID 139421773

IUPACN-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
SMILESC=C(CC)N1CCN(CCN(CCC)CCC)CC1
InChIInChI=1S/C16H33N3/c1-5-8-17(9-6-2)10-11-18-12-14-19(15-13-18)16(4)7-3/h4-15H2,1-3H3
InChIKeyXYNAPOBMLPVCBQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.65
Rot. Bonds9

About N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine

N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 139421773) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
PubChem CID139421773
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
SMILESC=C(CC)N1CCN(CCN(CCC)CCC)CC1
InChIInChI=1S/C16H33N3/c1-5-8-17(9-6-2)10-11-18-12-14-19(15-13-18)16(4)7-3/h4-15H2,1-3H3
InChIKeyXYNAPOBMLPVCBQ-UHFFFAOYSA-N
XLogP2.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine (CID 139421773) is N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine is C=C(CC)N1CCN(CCN(CCC)CCC)CC1.
What is the InChIKey of N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is XYNAPOBMLPVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-8-17(9-6-2)10-11-18-12-14-19(15-13-18)16(4)7-3/h4-15H2,1-3H3.
What are the key properties of N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine?
N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 139421773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).