piperidin-2-ylmethylcyanamide

C7H13N3 — CID 105428074

IUPACpiperidin-2-ylmethylcyanamide
SMILESN#CNCC1CCCCN1
InChIInChI=1S/C7H13N3/c8-6-9-5-7-3-1-2-4-10-7/h7,9-10H,1-5H2
InChIKeyDSRPNXWIBMRUIN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.20
Rot. Bonds2

About piperidin-2-ylmethylcyanamide

piperidin-2-ylmethylcyanamide (PubChem CID 105428074) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is piperidin-2-ylmethylcyanamide.

Molecular Properties

Compound Namepiperidin-2-ylmethylcyanamide
PubChem CID105428074
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Namepiperidin-2-ylmethylcyanamide
SMILESN#CNCC1CCCCN1
InChIInChI=1S/C7H13N3/c8-6-9-5-7-3-1-2-4-10-7/h7,9-10H,1-5H2
InChIKeyDSRPNXWIBMRUIN-UHFFFAOYSA-N
XLogP0.20
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
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

ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
CID 107850497
2-pyrrolidin-2-ylacetonitrile
CID 12896132
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106633164
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867

Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylmethylcyanamide?
The IUPAC name of piperidin-2-ylmethylcyanamide (CID 105428074) is piperidin-2-ylmethylcyanamide.
What is the SMILES notation for piperidin-2-ylmethylcyanamide?
The canonical SMILES for piperidin-2-ylmethylcyanamide is N#CNCC1CCCCN1.
What is the InChIKey of piperidin-2-ylmethylcyanamide?
The InChIKey is DSRPNXWIBMRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-6-9-5-7-3-1-2-4-10-7/h7,9-10H,1-5H2.
What are the key properties of piperidin-2-ylmethylcyanamide?
piperidin-2-ylmethylcyanamide has a molecular weight of 139.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylmethylcyanamide is sourced from PubChem (CID 105428074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).