1,1-dimethyl-3-prop-2-enylideneguanidine

C6H11N3 — CID 173495661

IUPAC1,1-dimethyl-3-prop-2-enylideneguanidine
SMILES[H]/N=C(\N=CC=C)N(C)C
InChIInChI=1S/C6H11N3/c1-4-5-8-6(7)9(2)3/h4-5,7H,1H2,2-3H3/b7-6+,8-5?
InChIKeyHUUZWHLLKYGUBW-QPOHHVDYSA-N
MW125.17 g/mol
LogP0.74
Rot. Bonds1

About 1,1-dimethyl-3-prop-2-enylideneguanidine

1,1-dimethyl-3-prop-2-enylideneguanidine (PubChem CID 173495661) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,1-dimethyl-3-prop-2-enylideneguanidine.

Molecular Properties

Compound Name1,1-dimethyl-3-prop-2-enylideneguanidine
PubChem CID173495661
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,1-dimethyl-3-prop-2-enylideneguanidine
SMILES[H]/N=C(\N=CC=C)N(C)C
InChIInChI=1S/C6H11N3/c1-4-5-8-6(7)9(2)3/h4-5,7H,1H2,2-3H3/b7-6+,8-5?
InChIKeyHUUZWHLLKYGUBW-QPOHHVDYSA-N
XLogP0.74
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.74
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

ethane;N-prop-2-enylidenebutanimidamide
CID 170581268
3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
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N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
CID 170195275
1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
CID 90839193
1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine
CID 144700941
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
prop-2-enylidenecarbamic acid
CID 175459397
N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
CID 175480907
1-methyl-3-prop-2-enylideneurea
CID 91455060

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-prop-2-enylideneguanidine?
The IUPAC name of 1,1-dimethyl-3-prop-2-enylideneguanidine (CID 173495661) is 1,1-dimethyl-3-prop-2-enylideneguanidine.
What is the SMILES notation for 1,1-dimethyl-3-prop-2-enylideneguanidine?
The canonical SMILES for 1,1-dimethyl-3-prop-2-enylideneguanidine is [H]/N=C(\N=CC=C)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-prop-2-enylideneguanidine?
The InChIKey is HUUZWHLLKYGUBW-QPOHHVDYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5-8-6(7)9(2)3/h4-5,7H,1H2,2-3H3/b7-6+,8-5?.
What are the key properties of 1,1-dimethyl-3-prop-2-enylideneguanidine?
1,1-dimethyl-3-prop-2-enylideneguanidine has a molecular weight of 125.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-prop-2-enylideneguanidine is sourced from PubChem (CID 173495661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).