N-ethenyl-N'-prop-1-enylbutanimidamide

C9H16N2 — CID 91047825

IUPACN-ethenyl-N'-prop-1-enylbutanimidamide
SMILESC=CN/C(CCC)=N/C=CC
InChIInChI=1S/C9H16N2/c1-4-7-9(10-6-3)11-8-5-2/h5-6,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyWPZIZWCLKXANPZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About N-ethenyl-N'-prop-1-enylbutanimidamide

N-ethenyl-N'-prop-1-enylbutanimidamide (PubChem CID 91047825) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethenyl-N'-prop-1-enylbutanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-prop-1-enylbutanimidamide
PubChem CID91047825
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethenyl-N'-prop-1-enylbutanimidamide
SMILESC=CN/C(CCC)=N/C=CC
InChIInChI=1S/C9H16N2/c1-4-7-9(10-6-3)11-8-5-2/h5-6,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyWPZIZWCLKXANPZ-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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

2-nonyl-1H-1,3-diazepine
CID 91448328
2-Methyl-1,4-dihydropyrimidine
CID 13432429
3-(3-methyl-4H-pyrimidin-2-yl)propan-1-amine
CID 54100951
2-Methyl-1H-1,3-diazepine
CID 56992381
2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
CID 67598333
2-pentyl-1H-1,3-diazepine
CID 67931914
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
2-Propan-2-yl-1,4-dihydropyrimidine
CID 90888073
N-ethenyl-N'-methylpropanimidamide
CID 91077159

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-prop-1-enylbutanimidamide?
The IUPAC name of N-ethenyl-N'-prop-1-enylbutanimidamide (CID 91047825) is N-ethenyl-N'-prop-1-enylbutanimidamide.
What is the SMILES notation for N-ethenyl-N'-prop-1-enylbutanimidamide?
The canonical SMILES for N-ethenyl-N'-prop-1-enylbutanimidamide is C=CN/C(CCC)=N/C=CC.
What is the InChIKey of N-ethenyl-N'-prop-1-enylbutanimidamide?
The InChIKey is WPZIZWCLKXANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7-9(10-6-3)11-8-5-2/h5-6,8H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N-ethenyl-N'-prop-1-enylbutanimidamide?
N-ethenyl-N'-prop-1-enylbutanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-prop-1-enylbutanimidamide is sourced from PubChem (CID 91047825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).