hex-3-enimidamide

C6H12N2 — CID 57196822

IUPAChex-3-enimidamide
SMILES[H]/N=C(/N)CC=CCC
InChIInChI=1S/C6H12N2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H3,7,8)
InChIKeyBFDUOKPQDRKBDX-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.28
Rot. Bonds3

About hex-3-enimidamide

hex-3-enimidamide (PubChem CID 57196822) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is hex-3-enimidamide.

Molecular Properties

Compound Namehex-3-enimidamide
PubChem CID57196822
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namehex-3-enimidamide
SMILES[H]/N=C(/N)CC=CCC
InChIInChI=1S/C6H12N2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H3,7,8)
InChIKeyBFDUOKPQDRKBDX-UHFFFAOYSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(E)-4-fluoro-2-methylpent-3-enimidamide
CID 142083241
(E)-4-fluoropent-3-enimidamide
CID 142083272
Vinylacetamidine
CID 4056230
Pent-2-enimidamide
CID 34180092
Pent-3-enimidamide
CID 53397023
(3E)-3-methylhexa-3,5-dienimidamide
CID 58082056
CID 74821450
CID 74821450
(E)-N'-hydroxypent-3-enimidamide
CID 88365803
Hexa-3,5-dienimidamide
CID 88773677
Cyclopenta-2,4-diene-1-carboximidamide
CID 89338639
(Z)-pent-2-enimidamide
CID 96869220
(E)-N'-ethylpent-3-enimidamide
CID 118519265

Frequently Asked Questions

What is the IUPAC name of hex-3-enimidamide?
The IUPAC name of hex-3-enimidamide (CID 57196822) is hex-3-enimidamide.
What is the SMILES notation for hex-3-enimidamide?
The canonical SMILES for hex-3-enimidamide is [H]/N=C(/N)CC=CCC.
What is the InChIKey of hex-3-enimidamide?
The InChIKey is BFDUOKPQDRKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H3,7,8).
What are the key properties of hex-3-enimidamide?
hex-3-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-enimidamide is sourced from PubChem (CID 57196822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).