(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide

C8H17N3 — CID 137200803

IUPAC(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide
SMILESCCC(C)/N=C(N)/C=C\NC
InChIInChI=1S/C8H17N3/c1-4-7(2)11-8(9)5-6-10-3/h5-7,10H,4H2,1-3H3,(H2,9,11)/b6-5-
InChIKeyFOFPDOQZNQRJBH-WAYWQWQTSA-N
MW155.25 g/mol
LogP0.88
Rot. Bonds4

About (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide

(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide (PubChem CID 137200803) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide
PubChem CID137200803
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide
SMILESCCC(C)/N=C(N)/C=C\NC
InChIInChI=1S/C8H17N3/c1-4-7(2)11-8(9)5-6-10-3/h5-7,10H,4H2,1-3H3,(H2,9,11)/b6-5-
InChIKeyFOFPDOQZNQRJBH-WAYWQWQTSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-butan-2-yl-3-(methylamino)prop-2-enimidamide?
The IUPAC name of (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide (CID 137200803) is (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide is CCC(C)/N=C(N)/C=C\NC.
What is the InChIKey of (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide?
The InChIKey is FOFPDOQZNQRJBH-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-7(2)11-8(9)5-6-10-3/h5-7,10H,4H2,1-3H3,(H2,9,11)/b6-5-.
What are the key properties of (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide?
(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 137200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).