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

C13H25N3 — CID 106613827

IUPAC2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C)C#N)CC1CCCN1
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-5-9-16(3)10-12-6-4-8-15-12/h12,15H,4-10H2,1-3H3
InChIKeyLICKVJHAXSTLIO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds6

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

2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile (PubChem CID 106613827) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
PubChem CID106613827
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C)C#N)CC1CCCN1
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-5-9-16(3)10-12-6-4-8-15-12/h12,15H,4-10H2,1-3H3
InChIKeyLICKVJHAXSTLIO-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpentanenitrile
CID 106617573
4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106613835
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106636578
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 106616669
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
CID 106635214
N-methyl-N-(piperidin-2-ylmethyl)hept-6-en-1-amine
CID 107008102
4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 106613675
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile (CID 106613827) is 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile is CN(CCCC(C)(C)C#N)CC1CCCN1.
What is the InChIKey of 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The InChIKey is LICKVJHAXSTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,11-14)7-5-9-16(3)10-12-6-4-8-15-12/h12,15H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 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(pyrrolidin-2-ylmethyl)amino]pentanenitrile is sourced from PubChem (CID 106613827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).