(1-methylpiperidin-2-ylidene)cyanamide

C7H11N3 — CID 12825965

IUPAC(1-methylpiperidin-2-ylidene)cyanamide
SMILESCN1CCCC/C1=N\C#N
InChIInChI=1S/C7H11N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H2,1H3/b9-7+
InChIKeyGLHMCLDQIMSWTA-VQHVLOKHSA-N
MW137.19 g/mol
LogP0.98
Rot. Bonds

About (1-methylpiperidin-2-ylidene)cyanamide

(1-methylpiperidin-2-ylidene)cyanamide (PubChem CID 12825965) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (1-methylpiperidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(1-methylpiperidin-2-ylidene)cyanamide
PubChem CID12825965
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(1-methylpiperidin-2-ylidene)cyanamide
SMILESCN1CCCC/C1=N\C#N
InChIInChI=1S/C7H11N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H2,1H3/b9-7+
InChIKeyGLHMCLDQIMSWTA-VQHVLOKHSA-N
XLogP0.98
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-[2-cyano-1-(cyanoimino)ethyl]-
CID 91890
1-Methylpiperidin-2-imine
CID 12449028
3,4,6,7,8,9-Hexahydro-2H-pyrido[1,2-A]pyrimidine
CID 10219469
2,3,5,6,7,8-Hexahydroimidazo[1,2-a]pyridine
CID 12641721
N,N-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 13447030
1-(3,4-dihydro-2H-pyrrol-5-yl)piperidine
CID 15525971
6-Piperidin-1-yl-2,3,4,5-tetrahydropyridine
CID 68080603
1-piperidin-1-yl-N-propan-2-ylethanimine
CID 330649
2,3,4,5,7,8,9,10-Octahydropyrido[1,2-a][1,3]diazepine
CID 12933797
N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine
CID 18728205
N-methyl-1-piperidin-1-ylethanimine
CID 18728216
2-butyl-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20277933

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-ylidene)cyanamide?
The IUPAC name of (1-methylpiperidin-2-ylidene)cyanamide (CID 12825965) is (1-methylpiperidin-2-ylidene)cyanamide.
What is the SMILES notation for (1-methylpiperidin-2-ylidene)cyanamide?
The canonical SMILES for (1-methylpiperidin-2-ylidene)cyanamide is CN1CCCC/C1=N\C#N.
What is the InChIKey of (1-methylpiperidin-2-ylidene)cyanamide?
The InChIKey is GLHMCLDQIMSWTA-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H2,1H3/b9-7+.
What are the key properties of (1-methylpiperidin-2-ylidene)cyanamide?
(1-methylpiperidin-2-ylidene)cyanamide has a molecular weight of 137.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-ylidene)cyanamide is sourced from PubChem (CID 12825965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).