3,3-dimethylcyclopropane-1,2-dicarboximidamide

C7H14N4 — CID 175323510

IUPAC3,3-dimethylcyclopropane-1,2-dicarboximidamide
SMILES[H]/N=C(\N)C1C(/C(N)=N/[H])C1(C)C
InChIInChI=1S/C7H14N4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H3,8,9)(H3,10,11)
InChIKeyOEERGDWODWYWKB-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.13
Rot. Bonds2

About 3,3-dimethylcyclopropane-1,2-dicarboximidamide

3,3-dimethylcyclopropane-1,2-dicarboximidamide (PubChem CID 175323510) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3,3-dimethylcyclopropane-1,2-dicarboximidamide.

Molecular Properties

Compound Name3,3-dimethylcyclopropane-1,2-dicarboximidamide
PubChem CID175323510
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3,3-dimethylcyclopropane-1,2-dicarboximidamide
SMILES[H]/N=C(\N)C1C(/C(N)=N/[H])C1(C)C
InChIInChI=1S/C7H14N4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H3,8,9)(H3,10,11)
InChIKeyOEERGDWODWYWKB-UHFFFAOYSA-N
XLogP0.13
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.13
H-Bond Donors ≤ 54
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

3,3,5,5-tetramethylcyclohexane-1-carboximidamide
CID 69183914
2-methylcyclopropane-1-carboximidamide;hydrochloride
CID 55289632
4,4-difluorocyclohexane-1-carboximidamide
CID 83854458
cobalt;ethanimidamide
CID 162055614
3-fluorocyclobutane-1-carboximidamide
CID 83853924
3-methoxycyclobutane-1-carboximidamide;hydrochloride
CID 105432531
4-tert-butylcyclohexane-1-carboximidamide
CID 20592811
3,4-dimethylcyclohexane-1-carboximidamide
CID 64740369
spiro[2.4]heptane-7-carboximidamide
CID 131631947
thiane-4-carboximidamide
CID 83677490
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclopropane-1,2-dicarboximidamide?
The IUPAC name of 3,3-dimethylcyclopropane-1,2-dicarboximidamide (CID 175323510) is 3,3-dimethylcyclopropane-1,2-dicarboximidamide.
What is the SMILES notation for 3,3-dimethylcyclopropane-1,2-dicarboximidamide?
The canonical SMILES for 3,3-dimethylcyclopropane-1,2-dicarboximidamide is [H]/N=C(\N)C1C(/C(N)=N/[H])C1(C)C.
What is the InChIKey of 3,3-dimethylcyclopropane-1,2-dicarboximidamide?
The InChIKey is OEERGDWODWYWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H3,8,9)(H3,10,11).
What are the key properties of 3,3-dimethylcyclopropane-1,2-dicarboximidamide?
3,3-dimethylcyclopropane-1,2-dicarboximidamide has a molecular weight of 154.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclopropane-1,2-dicarboximidamide is sourced from PubChem (CID 175323510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).