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

C10H19N3 — CID 134406164

IUPAC(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)C1CCNCC1
InChIInChI=1S/C10H19N3/c1-8(11)2-3-10(12)9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3-
InChIKeyANSOSKUFHLREJS-DJHVICIBSA-N
MW181.28 g/mol
LogP0.69
Rot. Bonds2

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

(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine (PubChem CID 134406164) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine
PubChem CID134406164
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)C1CCNCC1
InChIInChI=1S/C10H19N3/c1-8(11)2-3-10(12)9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3-
InChIKeyANSOSKUFHLREJS-DJHVICIBSA-N
XLogP0.69
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine (CID 134406164) is (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)C1CCNCC1.
What is the InChIKey of (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine?
The InChIKey is ANSOSKUFHLREJS-DJHVICIBSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(11)2-3-10(12)9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3-.
What are the key properties of (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine?
(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).