(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine

C12H21N3 — CID 135234562

IUPAC(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine
SMILESC=C(N)/C(N)=C(\C=C/C)N1CCCCC1
InChIInChI=1S/C12H21N3/c1-3-7-11(12(14)10(2)13)15-8-5-4-6-9-15/h3,7H,2,4-6,8-9,13-14H2,1H3/b7-3-,12-11-
InChIKeyPJLKVOGKKYXASY-RFJXNOEISA-N
MW207.32 g/mol
LogP1.69
Rot. Bonds3

About (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine

(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine (PubChem CID 135234562) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine.

Molecular Properties

Compound Name(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine
PubChem CID135234562
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine
SMILESC=C(N)/C(N)=C(\C=C/C)N1CCCCC1
InChIInChI=1S/C12H21N3/c1-3-7-11(12(14)10(2)13)15-8-5-4-6-9-15/h3,7H,2,4-6,8-9,13-14H2,1H3/b7-3-,12-11-
InChIKeyPJLKVOGKKYXASY-RFJXNOEISA-N
XLogP1.69
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
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 (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine?
The IUPAC name of (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine (CID 135234562) is (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine.
What is the SMILES notation for (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine?
The canonical SMILES for (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine is C=C(N)/C(N)=C(\C=C/C)N1CCCCC1.
What is the InChIKey of (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine?
The InChIKey is PJLKVOGKKYXASY-RFJXNOEISA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-11(12(14)10(2)13)15-8-5-4-6-9-15/h3,7H,2,4-6,8-9,13-14H2,1H3/b7-3-,12-11-.
What are the key properties of (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine?
(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine is sourced from PubChem (CID 135234562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).