ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine

C15H34N4 — CID 142390641

IUPACethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine
SMILESC=C(CNCCNCCN1CCCCC1)NC.CC
InChIInChI=1S/C13H28N4.C2H6/c1-13(14-2)12-16-7-6-15-8-11-17-9-4-3-5-10-17;1-2/h14-16H,1,3-12H2,2H3;1-2H3
InChIKeyZXVHWHMZEYGVEK-UHFFFAOYSA-N
MW270.46 g/mol
LogP1.41
Rot. Bonds9

About ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine

ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine (PubChem CID 142390641) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine
PubChem CID142390641
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Nameethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine
SMILESC=C(CNCCNCCN1CCCCC1)NC.CC
InChIInChI=1S/C13H28N4.C2H6/c1-13(14-2)12-16-7-6-15-8-11-17-9-4-3-5-10-17;1-2/h14-16H,1,3-12H2,2H3;1-2H3
InChIKeyZXVHWHMZEYGVEK-UHFFFAOYSA-N
XLogP1.41
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine?
The IUPAC name of ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine (CID 142390641) is ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine?
The canonical SMILES for ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine is C=C(CNCCNCCN1CCCCC1)NC.CC.
What is the InChIKey of ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine?
The InChIKey is ZXVHWHMZEYGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.C2H6/c1-13(14-2)12-16-7-6-15-8-11-17-9-4-3-5-10-17;1-2/h14-16H,1,3-12H2,2H3;1-2H3.
What are the key properties of ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine?
ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 142390641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).