N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine

C7H12N2 — CID 135211783

IUPACN-(3-iminoprop-1-en-2-yl)but-3-en-2-amine
SMILES[H]/N=C/C(=C)NC(C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(2)9-7(3)5-8/h4-6,8-9H,1,3H2,2H3/b8-5+
InChIKeyYLLFILSMHBCZCT-VMPITWQZSA-N
MW124.19 g/mol
LogP1.31
Rot. Bonds4

About N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine

N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine (PubChem CID 135211783) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(3-iminoprop-1-en-2-yl)but-3-en-2-amine
PubChem CID135211783
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(3-iminoprop-1-en-2-yl)but-3-en-2-amine
SMILES[H]/N=C/C(=C)NC(C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(2)9-7(3)5-8/h4-6,8-9H,1,3H2,2H3/b8-5+
InChIKeyYLLFILSMHBCZCT-VMPITWQZSA-N
XLogP1.31
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine?
The IUPAC name of N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine (CID 135211783) is N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine.
What is the SMILES notation for N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine?
The canonical SMILES for N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine is [H]/N=C/C(=C)NC(C)C=C.
What is the InChIKey of N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine?
The InChIKey is YLLFILSMHBCZCT-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(2)9-7(3)5-8/h4-6,8-9H,1,3H2,2H3/b8-5+.
What are the key properties of N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine?
N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine is sourced from PubChem (CID 135211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).