(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine

C12H21N3 — CID 88978669

IUPAC(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC(CN)CC1
InChIInChI=1S/C12H21N3/c1-2-3-12(4-7-13)15-8-5-11(10-14)6-9-15/h2-4,7,11H,1,5-6,8-10,13-14H2/b7-4-,12-3+
InChIKeyDPVYNOZWPXSCTP-PEFLUEAXSA-N
MW207.32 g/mol
LogP1.20
Rot. Bonds4

About (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine (PubChem CID 88978669) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
PubChem CID88978669
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC(CN)CC1
InChIInChI=1S/C12H21N3/c1-2-3-12(4-7-13)15-8-5-11(10-14)6-9-15/h2-4,7,11H,1,5-6,8-10,13-14H2/b7-4-,12-3+
InChIKeyDPVYNOZWPXSCTP-PEFLUEAXSA-N
XLogP1.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine (CID 88978669) is (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)N1CCC(CN)CC1.
What is the InChIKey of (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is DPVYNOZWPXSCTP-PEFLUEAXSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-12(4-7-13)15-8-5-11(10-14)6-9-15/h2-4,7,11H,1,5-6,8-10,13-14H2/b7-4-,12-3+.
What are the key properties of (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88978669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).