3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile

C12H23N3 — CID 106632376

IUPAC3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCCCN1
InChIInChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-6-4-5-7-14-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyGWCDXFNNLYZTFV-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile

3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile (PubChem CID 106632376) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
PubChem CID106632376
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCCCN1
InChIInChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-6-4-5-7-14-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyGWCDXFNNLYZTFV-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

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106617970
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106614944
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
CID 55049291
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622572

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile (CID 106632376) is 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)CC1CCCCN1.
What is the InChIKey of 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is GWCDXFNNLYZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-6-4-5-7-14-12/h11-12,14H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile?
3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile 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 3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 106632376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).