(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide

C13H22N4 — CID 122468312

IUPAC(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(C)=C(/C)N
InChIInChI=1S/C13H22N4/c1-8-5-6-17-7-11(8)12(13(15)16-4)9(2)10(3)14/h17H,1,5-7,14H2,2-4H3,(H2,15,16)/b10-9-,12-11+
InChIKeyMZSDYDVAJQJYNI-XAZJVICWSA-N
MW234.35 g/mol
LogP1.07
Rot. Bonds2

About (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide

(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide (PubChem CID 122468312) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide.

Molecular Properties

Compound Name(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
PubChem CID122468312
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(C)=C(/C)N
InChIInChI=1S/C13H22N4/c1-8-5-6-17-7-11(8)12(13(15)16-4)9(2)10(3)14/h17H,1,5-7,14H2,2-4H3,(H2,15,16)/b10-9-,12-11+
InChIKeyMZSDYDVAJQJYNI-XAZJVICWSA-N
XLogP1.07
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The IUPAC name of (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide (CID 122468312) is (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide.
What is the SMILES notation for (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The canonical SMILES for (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide is C=C1CCNC/C1=C(C(\N)=N\C)/C(C)=C(/C)N.
What is the InChIKey of (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The InChIKey is MZSDYDVAJQJYNI-XAZJVICWSA-N. The full InChI is InChI=1S/C13H22N4/c1-8-5-6-17-7-11(8)12(13(15)16-4)9(2)10(3)14/h17H,1,5-7,14H2,2-4H3,(H2,15,16)/b10-9-,12-11+.
What are the key properties of (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide has a molecular weight of 234.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide is sourced from PubChem (CID 122468312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).