(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine

C12H20N2 — CID 139316986

IUPAC(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-3-12(8-7-11(2)13)14-9-5-4-6-10-14/h3,7-8H,2,4-6,9-10,13H2,1H3/b8-7-,12-3+
InChIKeyNBXUQAAUXARXTG-SODSMJNWSA-N
MW192.31 g/mol
LogP2.40
Rot. Bonds3

About (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine

(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine (PubChem CID 139316986) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine
PubChem CID139316986
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-3-12(8-7-11(2)13)14-9-5-4-6-10-14/h3,7-8H,2,4-6,9-10,13H2,1H3/b8-7-,12-3+
InChIKeyNBXUQAAUXARXTG-SODSMJNWSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine (CID 139316986) is (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C/C)N1CCCCC1.
What is the InChIKey of (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine?
The InChIKey is NBXUQAAUXARXTG-SODSMJNWSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-12(8-7-11(2)13)14-9-5-4-6-10-14/h3,7-8H,2,4-6,9-10,13H2,1H3/b8-7-,12-3+.
What are the key properties of (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine?
(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 139316986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).