(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide

C17H26N6 — CID 138579081

IUPAC(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide
SMILES[H]/N=C(/C=C\C(N)=N\C1CC2(CCNCC2)C1)c1c(C)cnn1C
InChIInChI=1S/C17H26N6/c1-12-11-21-23(2)16(12)14(18)3-4-15(19)22-13-9-17(10-13)5-7-20-8-6-17/h3-4,11,13,18,20H,5-10H2,1-2H3,(H2,19,22)/b4-3-,18-14-
InChIKeyLCLPEKKYYHXYPH-AKSPPSHISA-N
MW314.44 g/mol
LogP1.54
Rot. Bonds4

About (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide

(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide (PubChem CID 138579081) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide
PubChem CID138579081
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide
SMILES[H]/N=C(/C=C\C(N)=N\C1CC2(CCNCC2)C1)c1c(C)cnn1C
InChIInChI=1S/C17H26N6/c1-12-11-21-23(2)16(12)14(18)3-4-15(19)22-13-9-17(10-13)5-7-20-8-6-17/h3-4,11,13,18,20H,5-10H2,1-2H3,(H2,19,22)/b4-3-,18-14-
InChIKeyLCLPEKKYYHXYPH-AKSPPSHISA-N
XLogP1.54
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide?
The IUPAC name of (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide (CID 138579081) is (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide.
What is the SMILES notation for (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide?
The canonical SMILES for (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide is [H]/N=C(/C=C\C(N)=N\C1CC2(CCNCC2)C1)c1c(C)cnn1C.
What is the InChIKey of (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide?
The InChIKey is LCLPEKKYYHXYPH-AKSPPSHISA-N. The full InChI is InChI=1S/C17H26N6/c1-12-11-21-23(2)16(12)14(18)3-4-15(19)22-13-9-17(10-13)5-7-20-8-6-17/h3-4,11,13,18,20H,5-10H2,1-2H3,(H2,19,22)/b4-3-,18-14-.
What are the key properties of (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide?
(Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide has a molecular weight of 314.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(7-azaspiro[3.5]nonan-2-yl)-4-(1,4-dimethylpyrazol-5-yl)-4-iminobut-2-enimidamide is sourced from PubChem (CID 138579081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).