N-cyano-N',2,2-trimethylpropanimidamide

C7H13N3 — CID 59465497

IUPACN-cyano-N',2,2-trimethylpropanimidamide
SMILESC/N=C(\NC#N)C(C)(C)C
InChIInChI=1S/C7H13N3/c1-7(2,3)6(9-4)10-5-8/h1-4H3,(H,9,10)
InChIKeyFWILJFURRCPIIU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.13
Rot. Bonds

About N-cyano-N',2,2-trimethylpropanimidamide

N-cyano-N',2,2-trimethylpropanimidamide (PubChem CID 59465497) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-cyano-N',2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN-cyano-N',2,2-trimethylpropanimidamide
PubChem CID59465497
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-cyano-N',2,2-trimethylpropanimidamide
SMILESC/N=C(\NC#N)C(C)(C)C
InChIInChI=1S/C7H13N3/c1-7(2,3)6(9-4)10-5-8/h1-4H3,(H,9,10)
InChIKeyFWILJFURRCPIIU-UHFFFAOYSA-N
XLogP1.13
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dicyano-2-methylguanidine
CID 20806331
N',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
N-(ethylamino)-N',2,2-trimethylpropanimidamide
CID 146267713
N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
CID 91278102
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
CID 18323527
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
CID 19917315
1-cyano-2-methyl-3-(2-methylbutyl)guanidine
CID 166778988
1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine
CID 59426525
1-cyano-2-[(2S)-3,3-dimethylbutan-2-yl]-3-pyridin-4-ylguanidine;hydrate
CID 76964023
N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide
CID 110191303
N-cyano-N'-propan-2-ylpropanimidamide
CID 55299461
phenyl N-cyano-N'-methylcarbamimidate
CID 13186920

Frequently Asked Questions

What is the IUPAC name of N-cyano-N',2,2-trimethylpropanimidamide?
The IUPAC name of N-cyano-N',2,2-trimethylpropanimidamide (CID 59465497) is N-cyano-N',2,2-trimethylpropanimidamide.
What is the SMILES notation for N-cyano-N',2,2-trimethylpropanimidamide?
The canonical SMILES for N-cyano-N',2,2-trimethylpropanimidamide is C/N=C(\NC#N)C(C)(C)C.
What is the InChIKey of N-cyano-N',2,2-trimethylpropanimidamide?
The InChIKey is FWILJFURRCPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,3)6(9-4)10-5-8/h1-4H3,(H,9,10).
What are the key properties of N-cyano-N',2,2-trimethylpropanimidamide?
N-cyano-N',2,2-trimethylpropanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N',2,2-trimethylpropanimidamide is sourced from PubChem (CID 59465497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).