ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine

C14H27N3 — CID 142523610

IUPACethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine
SMILESC=CN/C=C\C=C(\N)C1CCCN(C)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-3-14-8-4-7-12(13)11-6-5-9-15(2)10-11;1-2/h3-4,7-8,11,14H,1,5-6,9-10,13H2,2H3;1-2H3/b8-4-,12-7+;
InChIKeyIPCQFIRRTMWHQH-NFZKUONPSA-N
MW237.39 g/mol
LogP2.44
Rot. Bonds4

About ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine

ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine (PubChem CID 142523610) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine
PubChem CID142523610
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine
SMILESC=CN/C=C\C=C(\N)C1CCCN(C)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-3-14-8-4-7-12(13)11-6-5-9-15(2)10-11;1-2/h3-4,7-8,11,14H,1,5-6,9-10,13H2,2H3;1-2H3/b8-4-,12-7+;
InChIKeyIPCQFIRRTMWHQH-NFZKUONPSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-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;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine (CID 142523610) is ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine is C=CN/C=C\C=C(\N)C1CCCN(C)C1.CC.
What is the InChIKey of ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine?
The InChIKey is IPCQFIRRTMWHQH-NFZKUONPSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-3-14-8-4-7-12(13)11-6-5-9-15(2)10-11;1-2/h3-4,7-8,11,14H,1,5-6,9-10,13H2,2H3;1-2H3/b8-4-,12-7+;.
What are the key properties of ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine?
ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-N'-ethenyl-1-(1-methylpiperidin-3-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 142523610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).