N-(but-3-enyliminomethyl)propanimidamide

C8H15N3 — CID 176528744

IUPACN-(but-3-enyliminomethyl)propanimidamide
SMILES[H]/N=C(\CC)N/C=N/CCC=C
InChIInChI=1S/C8H15N3/c1-3-5-6-10-7-11-8(9)4-2/h3,7H,1,4-6H2,2H3,(H2,9,10,11)
InChIKeySJCBAIJAZFWMTM-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds5

About N-(but-3-enyliminomethyl)propanimidamide

N-(but-3-enyliminomethyl)propanimidamide (PubChem CID 176528744) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(but-3-enyliminomethyl)propanimidamide.

Molecular Properties

Compound NameN-(but-3-enyliminomethyl)propanimidamide
PubChem CID176528744
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(but-3-enyliminomethyl)propanimidamide
SMILES[H]/N=C(\CC)N/C=N/CCC=C
InChIInChI=1S/C8H15N3/c1-3-5-6-10-7-11-8(9)4-2/h3,7H,1,4-6H2,2H3,(H2,9,10,11)
InChIKeySJCBAIJAZFWMTM-UHFFFAOYSA-N
XLogP1.57
TPSA48.24 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 ≤ 51.57
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 N-(but-3-enyliminomethyl)propanimidamide?
The IUPAC name of N-(but-3-enyliminomethyl)propanimidamide (CID 176528744) is N-(but-3-enyliminomethyl)propanimidamide.
What is the SMILES notation for N-(but-3-enyliminomethyl)propanimidamide?
The canonical SMILES for N-(but-3-enyliminomethyl)propanimidamide is [H]/N=C(\CC)N/C=N/CCC=C.
What is the InChIKey of N-(but-3-enyliminomethyl)propanimidamide?
The InChIKey is SJCBAIJAZFWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-6-10-7-11-8(9)4-2/h3,7H,1,4-6H2,2H3,(H2,9,10,11).
What are the key properties of N-(but-3-enyliminomethyl)propanimidamide?
N-(but-3-enyliminomethyl)propanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-3-enyliminomethyl)propanimidamide is sourced from PubChem (CID 176528744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).