N-(4-methyliminobut-2-en-2-yl)methanimidamide

C6H11N3 — CID 176520922

IUPACN-(4-methyliminobut-2-en-2-yl)methanimidamide
SMILES[H]/N=C/NC(C)=C/C=N/C
InChIInChI=1S/C6H11N3/c1-6(9-5-7)3-4-8-2/h3-5H,1-2H3,(H2,7,9)/b6-3?,8-4+
InChIKeyOIGVDNRGNLCYEP-BARCQMOHSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds3

About N-(4-methyliminobut-2-en-2-yl)methanimidamide

N-(4-methyliminobut-2-en-2-yl)methanimidamide (PubChem CID 176520922) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(4-methyliminobut-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN-(4-methyliminobut-2-en-2-yl)methanimidamide
PubChem CID176520922
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-(4-methyliminobut-2-en-2-yl)methanimidamide
SMILES[H]/N=C/NC(C)=C/C=N/C
InChIInChI=1S/C6H11N3/c1-6(9-5-7)3-4-8-2/h3-5H,1-2H3,(H2,7,9)/b6-3?,8-4+
InChIKeyOIGVDNRGNLCYEP-BARCQMOHSA-N
XLogP0.79
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
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

Pyrimidine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 171383916
6-Methyldihydropyrimidine
CID 19045937
(Z)-N-methyl-4-methyliminobut-2-en-2-amine
CID 55298255
N-methyl-4-methyliminobut-2-en-2-amine
CID 76225037
(Z)-4-ethylimino-N-methylbut-2-en-2-amine
CID 89130013
N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
CID 123493596
N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
CID 123751085
Ethane;6-methyl-1,2-dihydropyrimidine
CID 142141020
4-Iminobut-2-en-2-yl(methyl)azanium
CID 147193720
6-Methyl-1,4-dihydropyrimidin-3-ium
CID 147422557
3-(methylamino)-N-methylidenebut-2-enimidamide
CID 163762098
1-[(Z)-3-amino-4-(methylamino)but-2-enylidene]guanidine
CID 164066623

Frequently Asked Questions

What is the IUPAC name of N-(4-methyliminobut-2-en-2-yl)methanimidamide?
The IUPAC name of N-(4-methyliminobut-2-en-2-yl)methanimidamide (CID 176520922) is N-(4-methyliminobut-2-en-2-yl)methanimidamide.
What is the SMILES notation for N-(4-methyliminobut-2-en-2-yl)methanimidamide?
The canonical SMILES for N-(4-methyliminobut-2-en-2-yl)methanimidamide is [H]/N=C/NC(C)=C/C=N/C.
What is the InChIKey of N-(4-methyliminobut-2-en-2-yl)methanimidamide?
The InChIKey is OIGVDNRGNLCYEP-BARCQMOHSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(9-5-7)3-4-8-2/h3-5H,1-2H3,(H2,7,9)/b6-3?,8-4+.
What are the key properties of N-(4-methyliminobut-2-en-2-yl)methanimidamide?
N-(4-methyliminobut-2-en-2-yl)methanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyliminobut-2-en-2-yl)methanimidamide is sourced from PubChem (CID 176520922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).