methyl(piperidin-3-yl)cyanamide

C7H13N3 — CID 105428076

IUPACmethyl(piperidin-3-yl)cyanamide
SMILESCN(C#N)C1CCCNC1
InChIInChI=1S/C7H13N3/c1-10(6-8)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3
InChIKeyYVRAJDBJRAPPBL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.15
Rot. Bonds1

About methyl(piperidin-3-yl)cyanamide

methyl(piperidin-3-yl)cyanamide (PubChem CID 105428076) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is methyl(piperidin-3-yl)cyanamide.

Molecular Properties

Compound Namemethyl(piperidin-3-yl)cyanamide
PubChem CID105428076
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Namemethyl(piperidin-3-yl)cyanamide
SMILESCN(C#N)C1CCCNC1
InChIInChI=1S/C7H13N3/c1-10(6-8)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3
InChIKeyYVRAJDBJRAPPBL-UHFFFAOYSA-N
XLogP0.15
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl(methyl)cyanamide
CID 54415728
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
N-methyl-N-piperidin-3-ylmethanesulfinamide
CID 130905817
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
N-but-2-ynyl-N-methylpiperidin-3-amine
CID 63643559
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916
piperidine-3-carbonitrile;hydrochloride
CID 53400639

Frequently Asked Questions

What is the IUPAC name of methyl(piperidin-3-yl)cyanamide?
The IUPAC name of methyl(piperidin-3-yl)cyanamide (CID 105428076) is methyl(piperidin-3-yl)cyanamide.
What is the SMILES notation for methyl(piperidin-3-yl)cyanamide?
The canonical SMILES for methyl(piperidin-3-yl)cyanamide is CN(C#N)C1CCCNC1.
What is the InChIKey of methyl(piperidin-3-yl)cyanamide?
The InChIKey is YVRAJDBJRAPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10(6-8)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3.
What are the key properties of methyl(piperidin-3-yl)cyanamide?
methyl(piperidin-3-yl)cyanamide has a molecular weight of 139.20 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(piperidin-3-yl)cyanamide is sourced from PubChem (CID 105428076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).