2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile

C12H23N3 — CID 63029058

IUPAC2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC(C)C1
InChIInChI=1S/C12H23N3/c1-3-14-12(9-13)6-8-15-7-4-5-11(2)10-15/h11-12,14H,3-8,10H2,1-2H3
InChIKeyAAZAOEXIDVPUTL-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile

2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile (PubChem CID 63029058) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
PubChem CID63029058
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC(C)C1
InChIInChI=1S/C12H23N3/c1-3-14-12(9-13)6-8-15-7-4-5-11(2)10-15/h11-12,14H,3-8,10H2,1-2H3
InChIKeyAAZAOEXIDVPUTL-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256
4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63634010
2-(ethylamino)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66371946
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile
CID 63159349
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile (CID 63029058) is 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile is CCNC(C#N)CCN1CCCC(C)C1.
What is the InChIKey of 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile?
The InChIKey is AAZAOEXIDVPUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-14-12(9-13)6-8-15-7-4-5-11(2)10-15/h11-12,14H,3-8,10H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile?
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63029058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).