N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide

C10H17N3 — CID 90755784

IUPACN'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
SMILESC=CC/N=C(\C)C(C)/C(N)=N/C=C
InChIInChI=1S/C10H17N3/c1-5-7-13-9(4)8(3)10(11)12-6-2/h5-6,8H,1-2,7H2,3-4H3,(H2,11,12)/b13-9+
InChIKeyCINCDKRECGPBHT-UKTHLTGXSA-N
MW179.27 g/mol
LogP1.77
Rot. Bonds5

About N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide

N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide (PubChem CID 90755784) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
PubChem CID90755784
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
SMILESC=CC/N=C(\C)C(C)/C(N)=N/C=C
InChIInChI=1S/C10H17N3/c1-5-7-13-9(4)8(3)10(11)12-6-2/h5-6,8H,1-2,7H2,3-4H3,(H2,11,12)/b13-9+
InChIKeyCINCDKRECGPBHT-UKTHLTGXSA-N
XLogP1.77
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methyl-N'-prop-2-enylbutanimidamide
CID 87877522
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
(3Z)-N'-ethenyl-2-methyl-3-(propan-2-ylidenehydrazinylidene)butanimidamide
CID 90934415
N'-but-1-enyl-2,3-dimethylbutanimidamide
CID 123270725
N'-ethenyl-2,3-dimethylbutanimidamide
CID 139321180
ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen
CID 144647200
N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane
CID 144754768
N'-[(Z)-3-methylbut-1-enyl]propanimidamide
CID 145309298
3-methyl-N'-[(Z)-prop-1-enyl]butanimidamide
CID 146476313
ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 153389365
(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine
CID 156532435
ethane;N'-[(Z)-prop-1-enyl]butanimidamide
CID 156731995

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide?
The IUPAC name of N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide (CID 90755784) is N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide.
What is the SMILES notation for N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide?
The canonical SMILES for N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide is C=CC/N=C(\C)C(C)/C(N)=N/C=C.
What is the InChIKey of N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide?
The InChIKey is CINCDKRECGPBHT-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-7-13-9(4)8(3)10(11)12-6-2/h5-6,8H,1-2,7H2,3-4H3,(H2,11,12)/b13-9+.
What are the key properties of N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide?
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide is sourced from PubChem (CID 90755784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).