2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile

C14H27N3 — CID 106636578

IUPAC2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C)C#N)CC1CCCNC1
InChIInChI=1S/C14H27N3/c1-14(2,12-15)7-5-9-17(3)11-13-6-4-8-16-10-13/h13,16H,4-11H2,1-3H3
InChIKeyZKWZCPFIWYFZNB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds6

About 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile

2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile (PubChem CID 106636578) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
PubChem CID106636578
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C)C#N)CC1CCCNC1
InChIInChI=1S/C14H27N3/c1-14(2,12-15)7-5-9-17(3)11-13-6-4-8-16-10-13/h13,16H,4-11H2,1-3H3
InChIKeyZKWZCPFIWYFZNB-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106613827
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
CID 115741609
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
2,2-difluoro-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 84674393
2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
CID 65253359
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile (CID 106636578) is 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile is CN(CCCC(C)(C)C#N)CC1CCCNC1.
What is the InChIKey of 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The InChIKey is ZKWZCPFIWYFZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2,12-15)7-5-9-17(3)11-13-6-4-8-16-10-13/h13,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile?
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile is sourced from PubChem (CID 106636578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).