1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine

C12H24N4O — CID 142937073

IUPAC1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine
SMILESCCCCN.N#CC1CCCCN1C(=O)CN
InChIInChI=1S/C8H13N3O.C4H11N/c9-5-7-3-1-2-4-11(7)8(12)6-10;1-2-3-4-5/h7H,1-4,6,10H2;2-5H2,1H3
InChIKeyRDOCFSWTQZVQEJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.59
Rot. Bonds3

About 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine

1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine (PubChem CID 142937073) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine.

Molecular Properties

Compound Name1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine
PubChem CID142937073
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine
SMILESCCCCN.N#CC1CCCCN1C(=O)CN
InChIInChI=1S/C8H13N3O.C4H11N/c9-5-7-3-1-2-4-11(7)8(12)6-10;1-2-3-4-5/h7H,1-4,6,10H2;2-5H2,1H3
InChIKeyRDOCFSWTQZVQEJ-UHFFFAOYSA-N
XLogP0.59
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 90655547
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile;propane
CID 142254427
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
1-[(2S)-2,6-diaminohexanoyl]piperidine-2-carbonitrile
CID 10014450
(3aS,6aR)-2-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalene;1-(2-aminoacetyl)pyrrolidine-2-carbonitrile;ethane
CID 143550252
1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
1-[2-[amino(propan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10149801
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
CID 59269846

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine?
The IUPAC name of 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine (CID 142937073) is 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine.
What is the SMILES notation for 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine?
The canonical SMILES for 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine is CCCCN.N#CC1CCCCN1C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine?
The InChIKey is RDOCFSWTQZVQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C4H11N/c9-5-7-3-1-2-4-11(7)8(12)6-10;1-2-3-4-5/h7H,1-4,6,10H2;2-5H2,1H3.
What are the key properties of 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine?
1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine is sourced from PubChem (CID 142937073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).