(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile

C11H21N3 — CID 129389764

IUPAC(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile
SMILESCC(C)C[C@@H](C#N)NN1CCCCC1
InChIInChI=1S/C11H21N3/c1-10(2)8-11(9-12)13-14-6-4-3-5-7-14/h10-11,13H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyHCGRABSZBWTZST-NSHDSACASA-N
MW195.31 g/mol
LogP1.92
Rot. Bonds4

About (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile

(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile (PubChem CID 129389764) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile.

Molecular Properties

Compound Name(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile
PubChem CID129389764
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile
SMILESCC(C)C[C@@H](C#N)NN1CCCCC1
InChIInChI=1S/C11H21N3/c1-10(2)8-11(9-12)13-14-6-4-3-5-7-14/h10-11,13H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyHCGRABSZBWTZST-NSHDSACASA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanidylamino)-4-methylpentanenitrile;uranium
CID 155743178
(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid
CID 175009687
2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
4-(azepan-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029454
piperidin-1-ylcyanamide
CID 83018851
N-but-3-en-2-ylazepan-1-amine
CID 574624
N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine
CID 83006974
N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
CID 83015118
4-methyl-N-(4-methylpentan-2-yl)piperazin-1-amine
CID 83010481
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
N-hex-5-en-2-ylpiperidin-1-amine
CID 104655846
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile?
The IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile (CID 129389764) is (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile.
What is the SMILES notation for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile?
The canonical SMILES for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile is CC(C)C[C@@H](C#N)NN1CCCCC1.
What is the InChIKey of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile?
The InChIKey is HCGRABSZBWTZST-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)8-11(9-12)13-14-6-4-3-5-7-14/h10-11,13H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile?
(2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(piperidin-1-ylamino)pentanenitrile is sourced from PubChem (CID 129389764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).