(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide

C14H22N4 — CID 134502442

IUPAC(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
SMILESC=C1C=C(/C(N)=C/C(N)=N/C(CC)CC)C=CN1
InChIInChI=1S/C14H22N4/c1-4-12(5-2)18-14(16)9-13(15)11-6-7-17-10(3)8-11/h6-9,12,17H,3-5,15H2,1-2H3,(H2,16,18)/b13-9-
InChIKeyFDTVCUILYCNWDP-LCYFTJDESA-N
MW246.36 g/mol
LogP1.93
Rot. Bonds5

About (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide

(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide (PubChem CID 134502442) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
PubChem CID134502442
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
SMILESC=C1C=C(/C(N)=C/C(N)=N/C(CC)CC)C=CN1
InChIInChI=1S/C14H22N4/c1-4-12(5-2)18-14(16)9-13(15)11-6-7-17-10(3)8-11/h6-9,12,17H,3-5,15H2,1-2H3,(H2,16,18)/b13-9-
InChIKeyFDTVCUILYCNWDP-LCYFTJDESA-N
XLogP1.93
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.93
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)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide (CID 134502442) is (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide is C=C1C=C(/C(N)=C/C(N)=N/C(CC)CC)C=CN1.
What is the InChIKey of (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide?
The InChIKey is FDTVCUILYCNWDP-LCYFTJDESA-N. The full InChI is InChI=1S/C14H22N4/c1-4-12(5-2)18-14(16)9-13(15)11-6-7-17-10(3)8-11/h6-9,12,17H,3-5,15H2,1-2H3,(H2,16,18)/b13-9-.
What are the key properties of (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide?
(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide has a molecular weight of 246.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide is sourced from PubChem (CID 134502442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).