N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine

C16H34N4 — CID 18940752

IUPACN'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine
SMILESC=CCNCCCNCCCNCCC1CCCCN1
InChIInChI=1S/C16H34N4/c1-2-9-17-10-5-11-18-12-6-13-19-15-8-16-7-3-4-14-20-16/h2,16-20H,1,3-15H2
InChIKeyATYQXVGZCCUUGB-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.25
Rot. Bonds13

About N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine

N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine (PubChem CID 18940752) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine
PubChem CID18940752
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine
SMILESC=CCNCCCNCCCNCCC1CCCCN1
InChIInChI=1S/C16H34N4/c1-2-9-17-10-5-11-18-12-6-13-19-15-8-16-7-3-4-14-20-16/h2,16-20H,1,3-15H2
InChIKeyATYQXVGZCCUUGB-UHFFFAOYSA-N
XLogP1.25
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine (CID 18940752) is N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine is C=CCNCCCNCCCNCCC1CCCCN1.
What is the InChIKey of N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine?
The InChIKey is ATYQXVGZCCUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-2-9-17-10-5-11-18-12-6-13-19-15-8-16-7-3-4-14-20-16/h2,16-20H,1,3-15H2.
What are the key properties of N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine?
N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine has a molecular weight of 282.48 g/mol, XLogP of 1.25, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-piperidin-2-ylethyl)-N-[3-(prop-2-enylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 18940752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).