N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide

C6H10N2 — CID 89336882

IUPACN,N-dimethyl-N'-propa-1,2-dienylmethanimidamide
SMILESC=C=C/N=C/N(C)C
InChIInChI=1S/C6H10N2/c1-4-5-7-6-8(2)3/h5-6H,1H2,2-3H3/b7-6+
InChIKeyOEZVSWQHZLIGHT-VOTSOKGWSA-N
MW110.16 g/mol
LogP0.87
Rot. Bonds2

About N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide

N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide (PubChem CID 89336882) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-propa-1,2-dienylmethanimidamide
PubChem CID89336882
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN,N-dimethyl-N'-propa-1,2-dienylmethanimidamide
SMILESC=C=C/N=C/N(C)C
InChIInChI=1S/C6H10N2/c1-4-5-7-6-8(2)3/h5-6H,1H2,2-3H3/b7-6+
InChIKeyOEZVSWQHZLIGHT-VOTSOKGWSA-N
XLogP0.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide (CID 89336882) is N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide is C=C=C/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide?
The InChIKey is OEZVSWQHZLIGHT-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5-7-6-8(2)3/h5-6H,1H2,2-3H3/b7-6+.
What are the key properties of N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide?
N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide is sourced from PubChem (CID 89336882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).