3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile

C11H21N3 — CID 28728184

IUPAC3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
SMILESCC(C)N1CCC(NCCC#N)CC1
InChIInChI=1S/C11H21N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-5,7-9H2,1-2H3
InChIKeyFTAQTCGTQYOKAI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds4

About 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile

3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile (PubChem CID 28728184) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
PubChem CID28728184
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
SMILESCC(C)N1CCC(NCCC#N)CC1
InChIInChI=1S/C11H21N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-5,7-9H2,1-2H3
InChIKeyFTAQTCGTQYOKAI-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 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 ≤ 51.36
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

N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N-(2-cyclopentyloxyethyl)-1-propan-2-ylpiperidin-4-amine
CID 63823696

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile (CID 28728184) is 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile is CC(C)N1CCC(NCCC#N)CC1.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile?
The InChIKey is FTAQTCGTQYOKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-5,7-9H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile?
3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 28728184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).