(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide

C8H15N3 — CID 137476929

IUPAC(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide
SMILESC=CCC/N=C(N)/C=C\NC
InChIInChI=1S/C8H15N3/c1-3-4-6-11-8(9)5-7-10-2/h3,5,7,10H,1,4,6H2,2H3,(H2,9,11)/b7-5-
InChIKeyVEZBBRVRCMMKOO-ALCCZGGFSA-N
MW153.23 g/mol
LogP0.65
Rot. Bonds5

About (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide

(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide (PubChem CID 137476929) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide
PubChem CID137476929
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide
SMILESC=CCC/N=C(N)/C=C\NC
InChIInChI=1S/C8H15N3/c1-3-4-6-11-8(9)5-7-10-2/h3,5,7,10H,1,4,6H2,2H3,(H2,9,11)/b7-5-
InChIKeyVEZBBRVRCMMKOO-ALCCZGGFSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide?
The IUPAC name of (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide (CID 137476929) is (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide is C=CCC/N=C(N)/C=C\NC.
What is the InChIKey of (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide?
The InChIKey is VEZBBRVRCMMKOO-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-6-11-8(9)5-7-10-2/h3,5,7,10H,1,4,6H2,2H3,(H2,9,11)/b7-5-.
What are the key properties of (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide?
(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 137476929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).