N,N-dimethyl-2-methylidenebut-3-enimidamide

C7H12N2 — CID 178095439

IUPACN,N-dimethyl-2-methylidenebut-3-enimidamide
SMILES[H]/N=C(/C(=C)C=C)N(C)C
InChIInChI=1S/C7H12N2/c1-5-6(2)7(8)9(3)4/h5,8H,1-2H2,3-4H3/b8-7-
InChIKeyQEXIJWIHWWOKDP-FPLPWBNLSA-N
MW124.19 g/mol
LogP1.27
Rot. Bonds2

About N,N-dimethyl-2-methylidenebut-3-enimidamide

N,N-dimethyl-2-methylidenebut-3-enimidamide (PubChem CID 178095439) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,N-dimethyl-2-methylidenebut-3-enimidamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylidenebut-3-enimidamide
PubChem CID178095439
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,N-dimethyl-2-methylidenebut-3-enimidamide
SMILES[H]/N=C(/C(=C)C=C)N(C)C
InChIInChI=1S/C7H12N2/c1-5-6(2)7(8)9(3)4/h5,8H,1-2H2,3-4H3/b8-7-
InChIKeyQEXIJWIHWWOKDP-FPLPWBNLSA-N
XLogP1.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.27
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
1,1-dimethyl-3-prop-2-enylideneguanidine
CID 173495661
(E)-2-acetyl-N,N-dimethylbut-2-enimidamide
CID 91362771
N-ethenyl-N-methylprop-2-enimidamide
CID 143801656
1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine
CID 88754158
N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane
CID 145001615
(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
CID 145050208
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
CID 142965256
(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
CID 142879413

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylidenebut-3-enimidamide?
The IUPAC name of N,N-dimethyl-2-methylidenebut-3-enimidamide (CID 178095439) is N,N-dimethyl-2-methylidenebut-3-enimidamide.
What is the SMILES notation for N,N-dimethyl-2-methylidenebut-3-enimidamide?
The canonical SMILES for N,N-dimethyl-2-methylidenebut-3-enimidamide is [H]/N=C(/C(=C)C=C)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylidenebut-3-enimidamide?
The InChIKey is QEXIJWIHWWOKDP-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(2)7(8)9(3)4/h5,8H,1-2H2,3-4H3/b8-7-.
What are the key properties of N,N-dimethyl-2-methylidenebut-3-enimidamide?
N,N-dimethyl-2-methylidenebut-3-enimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylidenebut-3-enimidamide is sourced from PubChem (CID 178095439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).