N'-[(Z)-3-methylbut-1-enyl]propanimidamide

C8H16N2 — CID 145309298

IUPACN'-[(Z)-3-methylbut-1-enyl]propanimidamide
SMILESCC/C(N)=N\C=C/C(C)C
InChIInChI=1S/C8H16N2/c1-4-8(9)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10)/b6-5-
InChIKeyOZXQKTGAOVHLGP-WAYWQWQTSA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds3

About N'-[(Z)-3-methylbut-1-enyl]propanimidamide

N'-[(Z)-3-methylbut-1-enyl]propanimidamide (PubChem CID 145309298) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-[(Z)-3-methylbut-1-enyl]propanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methylbut-1-enyl]propanimidamide
PubChem CID145309298
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-[(Z)-3-methylbut-1-enyl]propanimidamide
SMILESCC/C(N)=N\C=C/C(C)C
InChIInChI=1S/C8H16N2/c1-4-8(9)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10)/b6-5-
InChIKeyOZXQKTGAOVHLGP-WAYWQWQTSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide
CID 162561600
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidamide
CID 89989589
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
CID 90755784
ethane;3H-pyrrol-2-amine
CID 91616708
4-Methyl-3,4-dihydropyridin-2-amine
CID 118033665
N'-but-1-enyl-2,3-dimethylbutanimidamide
CID 123270725
2-methyl-N'-[(1Z)-2-methylbuta-1,3-dienyl]butanimidamide
CID 123779823
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methylbut-1-enyl]propanimidamide?
The IUPAC name of N'-[(Z)-3-methylbut-1-enyl]propanimidamide (CID 145309298) is N'-[(Z)-3-methylbut-1-enyl]propanimidamide.
What is the SMILES notation for N'-[(Z)-3-methylbut-1-enyl]propanimidamide?
The canonical SMILES for N'-[(Z)-3-methylbut-1-enyl]propanimidamide is CC/C(N)=N\C=C/C(C)C.
What is the InChIKey of N'-[(Z)-3-methylbut-1-enyl]propanimidamide?
The InChIKey is OZXQKTGAOVHLGP-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(9)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10)/b6-5-.
What are the key properties of N'-[(Z)-3-methylbut-1-enyl]propanimidamide?
N'-[(Z)-3-methylbut-1-enyl]propanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methylbut-1-enyl]propanimidamide is sourced from PubChem (CID 145309298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).