2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide

C8H17N3 — CID 141155166

IUPAC2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
SMILESC/C=C/N=C(\N)C(CC)NC
InChIInChI=1S/C8H17N3/c1-4-6-11-8(9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3,(H2,9,11)/b6-4+
InChIKeyCIJIOSWTMLFLCF-GQCTYLIASA-N
MW155.25 g/mol
LogP0.88
Rot. Bonds4

About 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide

2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide (PubChem CID 141155166) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide.

Molecular Properties

Compound Name2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
PubChem CID141155166
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
SMILESC/C=C/N=C(\N)C(CC)NC
InChIInChI=1S/C8H17N3/c1-4-6-11-8(9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3,(H2,9,11)/b6-4+
InChIKeyCIJIOSWTMLFLCF-GQCTYLIASA-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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Related Compounds

(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide
CID 123518067
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-N'-propan-2-ylpropanimidamide
CID 123604400
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
CID 123954546
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
CID 137062013
2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141260220
ethane;N'-methyl-2-(methylamino)-N-prop-2-enylidenebutanimidamide
CID 144088548

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The IUPAC name of 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide (CID 141155166) is 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide.
What is the SMILES notation for 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The canonical SMILES for 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide is C/C=C/N=C(\N)C(CC)NC.
What is the InChIKey of 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The InChIKey is CIJIOSWTMLFLCF-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17N3/c1-4-6-11-8(9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3,(H2,9,11)/b6-4+.
What are the key properties of 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide 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 2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide is sourced from PubChem (CID 141155166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).