(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide

C12H23N5 — CID 122468376

IUPAC(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(N)C(C)N
InChIInChI=1S/C12H23N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h8,11,17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+
InChIKeyVTUYKJMPYXRXNH-MDZDMXLPSA-N
MW237.35 g/mol
LogP-0.51
Rot. Bonds3

About (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide

(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide (PubChem CID 122468376) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide.

Molecular Properties

Compound Name(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide
PubChem CID122468376
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(N)C(C)N
InChIInChI=1S/C12H23N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h8,11,17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+
InChIKeyVTUYKJMPYXRXNH-MDZDMXLPSA-N
XLogP-0.51
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide?
The IUPAC name of (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide (CID 122468376) is (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide.
What is the SMILES notation for (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide?
The canonical SMILES for (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide is C=C1CCNC/C1=C(C(\N)=N\C)/C(N)C(C)N.
What is the InChIKey of (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide?
The InChIKey is VTUYKJMPYXRXNH-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h8,11,17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+.
What are the key properties of (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide?
(2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide has a molecular weight of 237.35 g/mol, XLogP of -0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pentanimidamide is sourced from PubChem (CID 122468376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).