2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile

C16H30N4 — CID 64725330

IUPAC2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N4/c1-14(11-16(2,13-17)18-3)20-10-7-15(12-20)19-8-5-4-6-9-19/h14-15,18H,4-12H2,1-3H3
InChIKeySVUREGRLNXMJOO-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile

2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile (PubChem CID 64725330) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
PubChem CID64725330
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N4/c1-14(11-16(2,13-17)18-3)20-10-7-15(12-20)19-8-5-4-6-9-19/h14-15,18H,4-12H2,1-3H3
InChIKeySVUREGRLNXMJOO-UHFFFAOYSA-N
XLogP1.83
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64728323
2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725328
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 64727681
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64726134
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(methylamino)propanenitrile
CID 79943938
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile (CID 64725330) is 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile is CNC(C)(C#N)CC(C)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The InChIKey is SVUREGRLNXMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(11-16(2,13-17)18-3)20-10-7-15(12-20)19-8-5-4-6-9-19/h14-15,18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 64725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).