(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane

C13H28N4 — CID 145197936

IUPAC(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCC(C)(N)CC1.CC
InChIInChI=1S/C11H22N4.C2H6/c1-9(12)3-4-10(13)15-7-5-11(2,14)6-8-15;1-2/h3-4H,5-8,12-14H2,1-2H3;1-2H3/b9-3-,10-4+;
InChIKeyZZNRCMQIVABBOZ-NEKPVMNWSA-N
MW240.39 g/mol
LogP1.49
Rot. Bonds2

About (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane

(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane (PubChem CID 145197936) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane.

Molecular Properties

Compound Name(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
PubChem CID145197936
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCC(C)(N)CC1.CC
InChIInChI=1S/C11H22N4.C2H6/c1-9(12)3-4-10(13)15-7-5-11(2,14)6-8-15;1-2/h3-4H,5-8,12-14H2,1-2H3;1-2H3/b9-3-,10-4+;
InChIKeyZZNRCMQIVABBOZ-NEKPVMNWSA-N
XLogP1.49
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The IUPAC name of (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane (CID 145197936) is (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane.
What is the SMILES notation for (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The canonical SMILES for (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane is C/C(N)=C/C=C(\N)N1CCC(C)(N)CC1.CC.
What is the InChIKey of (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The InChIKey is ZZNRCMQIVABBOZ-NEKPVMNWSA-N. The full InChI is InChI=1S/C11H22N4.C2H6/c1-9(12)3-4-10(13)15-7-5-11(2,14)6-8-15;1-2/h3-4H,5-8,12-14H2,1-2H3;1-2H3/b9-3-,10-4+;.
What are the key properties of (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane has a molecular weight of 240.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane is sourced from PubChem (CID 145197936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).