N-(cyanomethyl)azocane-2-carboxamide

C10H17N3O — CID 130491299

IUPACN-(cyanomethyl)azocane-2-carboxamide
SMILESN#CCNC(=O)C1CCCCCCN1
InChIInChI=1S/C10H17N3O/c11-6-8-13-10(14)9-5-3-1-2-4-7-12-9/h9,12H,1-5,7-8H2,(H,13,14)
InChIKeyIMFDXVZECXMJPV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds2

About N-(cyanomethyl)azocane-2-carboxamide

N-(cyanomethyl)azocane-2-carboxamide (PubChem CID 130491299) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(cyanomethyl)azocane-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)azocane-2-carboxamide
PubChem CID130491299
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(cyanomethyl)azocane-2-carboxamide
SMILESN#CCNC(=O)C1CCCCCCN1
InChIInChI=1S/C10H17N3O/c11-6-8-13-10(14)9-5-3-1-2-4-7-12-9/h9,12H,1-5,7-8H2,(H,13,14)
InChIKeyIMFDXVZECXMJPV-UHFFFAOYSA-N
XLogP0.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyanopiperidine-2-carboxamide
CID 104914224
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
CID 104954794

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)azocane-2-carboxamide?
The IUPAC name of N-(cyanomethyl)azocane-2-carboxamide (CID 130491299) is N-(cyanomethyl)azocane-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)azocane-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)azocane-2-carboxamide is N#CCNC(=O)C1CCCCCCN1.
What is the InChIKey of N-(cyanomethyl)azocane-2-carboxamide?
The InChIKey is IMFDXVZECXMJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-6-8-13-10(14)9-5-3-1-2-4-7-12-9/h9,12H,1-5,7-8H2,(H,13,14).
What are the key properties of N-(cyanomethyl)azocane-2-carboxamide?
N-(cyanomethyl)azocane-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)azocane-2-carboxamide is sourced from PubChem (CID 130491299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).