(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide

C15H27N3 — CID 139435348

IUPAC(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide
SMILESC=C/C(=C\C(=N/C)NCC1CCCNC1)C(C)C
InChIInChI=1S/C15H27N3/c1-5-14(12(2)3)9-15(16-4)18-11-13-7-6-8-17-10-13/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3,(H,16,18)/b14-9+
InChIKeyQAJGKYCWRBJNGI-NTEUORMPSA-N
MW249.40 g/mol
LogP2.37
Rot. Bonds5

About (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide

(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide (PubChem CID 139435348) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide
PubChem CID139435348
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide
SMILESC=C/C(=C\C(=N/C)NCC1CCCNC1)C(C)C
InChIInChI=1S/C15H27N3/c1-5-14(12(2)3)9-15(16-4)18-11-13-7-6-8-17-10-13/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3,(H,16,18)/b14-9+
InChIKeyQAJGKYCWRBJNGI-NTEUORMPSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
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 (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide 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 (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide (CID 139435348) is (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide is C=C/C(=C\C(=N/C)NCC1CCCNC1)C(C)C.
What is the InChIKey of (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide?
The InChIKey is QAJGKYCWRBJNGI-NTEUORMPSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14(12(2)3)9-15(16-4)18-11-13-7-6-8-17-10-13/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3,(H,16,18)/b14-9+.
What are the key properties of (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide?
(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide has a molecular weight of 249.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 139435348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).