5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile

C14H27N3 — CID 103441934

IUPAC5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC1CCN(CCCC(C)(C)C#N)C(CN)C1
InChIInChI=1S/C14H27N3/c1-12-5-8-17(13(9-12)10-15)7-4-6-14(2,3)11-16/h12-13H,4-10,15H2,1-3H3
InChIKeyWTFRJXDFWJVEAC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.38
Rot. Bonds5

About 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile

5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 103441934) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile
PubChem CID103441934
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC1CCN(CCCC(C)(C)C#N)C(CN)C1
InChIInChI=1S/C14H27N3/c1-12-5-8-17(13(9-12)10-15)7-4-6-14(2,3)11-16/h12-13H,4-10,15H2,1-3H3
InChIKeyWTFRJXDFWJVEAC-UHFFFAOYSA-N
XLogP2.38
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 62331839
1-(5-cyano-5-methylhexyl)-2-methylpyrrolidine-3-carboxylic acid
CID 106713241
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
1-amino-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64819981
5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257406

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile (CID 103441934) is 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile is CC1CCN(CCCC(C)(C)C#N)C(CN)C1.
What is the InChIKey of 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is WTFRJXDFWJVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-5-8-17(13(9-12)10-15)7-4-6-14(2,3)11-16/h12-13H,4-10,15H2,1-3H3.
What are the key properties of 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile?
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 103441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).