(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide

C12H21N5 — CID 122468315

IUPAC(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(N)=C(/C)N
InChIInChI=1S/C12H21N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+,11-8+
InChIKeyGMNDCZYBJDAQOE-RUFFMTGISA-N
MW235.33 g/mol
LogP-0.03
Rot. Bonds2

About (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide

(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide (PubChem CID 122468315) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide.

Molecular Properties

Compound Name(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
PubChem CID122468315
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
SMILESC=C1CCNC/C1=C(C(\N)=N\C)/C(N)=C(/C)N
InChIInChI=1S/C12H21N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+,11-8+
InChIKeyGMNDCZYBJDAQOE-RUFFMTGISA-N
XLogP-0.03
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.03
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 (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The IUPAC name of (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide (CID 122468315) is (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide.
What is the SMILES notation for (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The canonical SMILES for (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide is C=C1CCNC/C1=C(C(\N)=N\C)/C(N)=C(/C)N.
What is the InChIKey of (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
The InChIKey is GMNDCZYBJDAQOE-RUFFMTGISA-N. The full InChI is InChI=1S/C12H21N5/c1-7-4-5-17-6-9(7)10(12(15)16-3)11(14)8(2)13/h17H,1,4-6,13-14H2,2-3H3,(H2,15,16)/b10-9+,11-8+.
What are the key properties of (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide?
(E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide has a molecular weight of 235.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-3,4-diamino-N'-methyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide is sourced from PubChem (CID 122468315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).