N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide

C12H21N3 — CID 123661281

IUPACN-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide
SMILESC=CC(=CC)NC=NCN1CCCCC1
InChIInChI=1S/C12H21N3/c1-3-12(4-2)14-10-13-11-15-8-6-5-7-9-15/h3-4,10H,1,5-9,11H2,2H3,(H,13,14)
InChIKeyRPOVWPSYVQNKAN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds5

About N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide

N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide (PubChem CID 123661281) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide.

Molecular Properties

Compound NameN-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide
PubChem CID123661281
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide
SMILESC=CC(=CC)NC=NCN1CCCCC1
InChIInChI=1S/C12H21N3/c1-3-12(4-2)14-10-13-11-15-8-6-5-7-9-15/h3-4,10H,1,5-9,11H2,2H3,(H,13,14)
InChIKeyRPOVWPSYVQNKAN-UHFFFAOYSA-N
XLogP2.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide 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 N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide?
The IUPAC name of N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide (CID 123661281) is N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide.
What is the SMILES notation for N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide?
The canonical SMILES for N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide is C=CC(=CC)NC=NCN1CCCCC1.
What is the InChIKey of N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide?
The InChIKey is RPOVWPSYVQNKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12(4-2)14-10-13-11-15-8-6-5-7-9-15/h3-4,10H,1,5-9,11H2,2H3,(H,13,14).
What are the key properties of N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide?
N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide is sourced from PubChem (CID 123661281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).