N-(2-cyanopropyl)-N-methylazepane-2-carboxamide

C12H21N3O — CID 64563051

IUPACN-(2-cyanopropyl)-N-methylazepane-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCCCCN1
InChIInChI=1S/C12H21N3O/c1-10(8-13)9-15(2)12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyUBGOMBQHDWODEX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds3

About N-(2-cyanopropyl)-N-methylazepane-2-carboxamide

N-(2-cyanopropyl)-N-methylazepane-2-carboxamide (PubChem CID 64563051) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylazepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylazepane-2-carboxamide
PubChem CID64563051
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-cyanopropyl)-N-methylazepane-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCCCCN1
InChIInChI=1S/C12H21N3O/c1-10(8-13)9-15(2)12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyUBGOMBQHDWODEX-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119818675
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389256
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
N-methyl-N-(3-methylbutan-2-yl)azepane-2-carboxamide
CID 64562225
N-(2,2-dimethylpropyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119299416
(2R)-N-methyl-N-(2-methylprop-2-enyl)piperidine-2-carboxamide
CID 104914782
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylazepane-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylazepane-2-carboxamide (CID 64563051) is N-(2-cyanopropyl)-N-methylazepane-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylazepane-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylazepane-2-carboxamide is CC(C#N)CN(C)C(=O)C1CCCCCN1.
What is the InChIKey of N-(2-cyanopropyl)-N-methylazepane-2-carboxamide?
The InChIKey is UBGOMBQHDWODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(8-13)9-15(2)12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methylazepane-2-carboxamide?
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylazepane-2-carboxamide is sourced from PubChem (CID 64563051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).