N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine

C15H29N3 — CID 89280144

IUPACN-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCN1CCN(CCC)CC1
InChIInChI=1S/C15H29N3/c1-4-7-16(8-5-2)10-13-18-14-11-17(9-6-3)12-15-18/h4-5H,1-2,6-15H2,3H3
InChIKeyATGFGKOMRMSVQD-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds9

About N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine

N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 89280144) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID89280144
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCN1CCN(CCC)CC1
InChIInChI=1S/C15H29N3/c1-4-7-16(8-5-2)10-13-18-14-11-17(9-6-3)12-15-18/h4-5H,1-2,6-15H2,3H3
InChIKeyATGFGKOMRMSVQD-UHFFFAOYSA-N
XLogP1.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine (CID 89280144) is N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine is C=CCN(CC=C)CCN1CCN(CCC)CC1.
What is the InChIKey of N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is ATGFGKOMRMSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-7-16(8-5-2)10-13-18-14-11-17(9-6-3)12-15-18/h4-5H,1-2,6-15H2,3H3.
What are the key properties of N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 89280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).