ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine

C12H25N3 — CID 145198069

IUPACethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-2/h5-6H,2-4,7-8,11-12H2,1H3;1-2H3/b9-5-,10-6+;
InChIKeyUYWLQHUIZFSKTG-KSTRYXAPSA-N
MW211.35 g/mol
LogP2.16
Rot. Bonds2

About ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine

ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine (PubChem CID 145198069) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
PubChem CID145198069
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-2/h5-6H,2-4,7-8,11-12H2,1H3;1-2H3/b9-5-,10-6+;
InChIKeyUYWLQHUIZFSKTG-KSTRYXAPSA-N
XLogP2.16
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 145197707
(1Z,3E)-N,N-diethyl-1-piperidin-1-ylpenta-1,3-dien-1-amine
CID 23267229
1-pentyl-2H-pyridine-2,6-diamine
CID 67821358
(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine
CID 89154018
(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine
CID 134406237
(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406389
(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406430
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406435
(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406444
(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406446
(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
CID 134406452

Frequently Asked Questions

What is the IUPAC name of ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine (CID 145198069) is ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCCCC1.CC.
What is the InChIKey of ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The InChIKey is UYWLQHUIZFSKTG-KSTRYXAPSA-N. The full InChI is InChI=1S/C10H19N3.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-2/h5-6H,2-4,7-8,11-12H2,1H3;1-2H3/b9-5-,10-6+;.
What are the key properties of ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine has a molecular weight of 211.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145198069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).