(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide

C12H21N3 — CID 144518192

IUPAC(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(C)\C(=N/C)NC1CCCNC1
InChIInChI=1S/C12H21N3/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15)/b10-6-
InChIKeyYYLZZXHAPLHDOO-POHAHGRESA-N
MW207.32 g/mol
LogP1.49
Rot. Bonds3

About (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide

(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide (PubChem CID 144518192) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide
PubChem CID144518192
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(C)\C(=N/C)NC1CCCNC1
InChIInChI=1S/C12H21N3/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15)/b10-6-
InChIKeyYYLZZXHAPLHDOO-POHAHGRESA-N
XLogP1.49
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.49
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide (CID 144518192) is (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide is C=C/C=C(C)\C(=N/C)NC1CCCNC1.
What is the InChIKey of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide?
The InChIKey is YYLZZXHAPLHDOO-POHAHGRESA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15)/b10-6-.
What are the key properties of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide?
(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide has a molecular weight of 207.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 144518192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).