2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile

C11H21N3 — CID 106636097

IUPAC2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CC1CCCCN1
InChIInChI=1S/C11H21N3/c1-2-8-14(9-6-12)10-11-5-3-4-7-13-11/h11,13H,2-5,7-10H2,1H3
InChIKeyOODDYNZGNWUKEZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds5

About 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile

2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile (PubChem CID 106636097) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
PubChem CID106636097
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CC1CCCCN1
InChIInChI=1S/C11H21N3/c1-2-8-14(9-6-12)10-11-5-3-4-7-13-11/h11,13H,2-5,7-10H2,1H3
InChIKeyOODDYNZGNWUKEZ-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635829
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636144
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile?
The IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile (CID 106636097) is 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile is CCCN(CC#N)CC1CCCCN1.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile?
The InChIKey is OODDYNZGNWUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-8-14(9-6-12)10-11-5-3-4-7-13-11/h11,13H,2-5,7-10H2,1H3.
What are the key properties of 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile?
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile is sourced from PubChem (CID 106636097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).