3-amino-1-pentylpiperidine-3-carbonitrile

C11H21N3 — CID 117012870

IUPAC3-amino-1-pentylpiperidine-3-carbonitrile
SMILESCCCCCN1CCCC(N)(C#N)C1
InChIInChI=1S/C11H21N3/c1-2-3-4-7-14-8-5-6-11(13,9-12)10-14/h2-8,10,13H2,1H3
InChIKeyXIWLWLQLLNEYMQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-1-pentylpiperidine-3-carbonitrile

3-amino-1-pentylpiperidine-3-carbonitrile (PubChem CID 117012870) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-amino-1-pentylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-pentylpiperidine-3-carbonitrile
PubChem CID117012870
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-amino-1-pentylpiperidine-3-carbonitrile
SMILESCCCCCN1CCCC(N)(C#N)C1
InChIInChI=1S/C11H21N3/c1-2-3-4-7-14-8-5-6-11(13,9-12)10-14/h2-8,10,13H2,1H3
InChIKeyXIWLWLQLLNEYMQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
5-butyl-5-azaspiro[2.5]octane
CID 130224729
4,4-dimethyl-1-pentylazepane
CID 18723213
1-heptylazetidine
CID 134402356
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
[3-(methylamino)-1-pentylpiperidin-3-yl]methanol
CID 117012596
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
1-decylpiperidine
CID 4649960

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pentylpiperidine-3-carbonitrile?
The IUPAC name of 3-amino-1-pentylpiperidine-3-carbonitrile (CID 117012870) is 3-amino-1-pentylpiperidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-pentylpiperidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-pentylpiperidine-3-carbonitrile is CCCCCN1CCCC(N)(C#N)C1.
What is the InChIKey of 3-amino-1-pentylpiperidine-3-carbonitrile?
The InChIKey is XIWLWLQLLNEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-4-7-14-8-5-6-11(13,9-12)10-14/h2-8,10,13H2,1H3.
What are the key properties of 3-amino-1-pentylpiperidine-3-carbonitrile?
3-amino-1-pentylpiperidine-3-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pentylpiperidine-3-carbonitrile is sourced from PubChem (CID 117012870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).