2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile

C11H22N4 — CID 63273995

IUPAC2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
SMILESCN(CCC(N)C#N)CC1CCN(C)C1
InChIInChI=1S/C11H22N4/c1-14-5-3-10(8-14)9-15(2)6-4-11(13)7-12/h10-11H,3-6,8-9,13H2,1-2H3
InChIKeyFWIOZOSRGGLLRE-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile

2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile (PubChem CID 63273995) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile.

Molecular Properties

Compound Name2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
PubChem CID63273995
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
SMILESCN(CCC(N)C#N)CC1CCN(C)C1
InChIInChI=1S/C11H22N4/c1-14-5-3-10(8-14)9-15(2)6-4-11(13)7-12/h10-11H,3-6,8-9,13H2,1-2H3
InChIKeyFWIOZOSRGGLLRE-UHFFFAOYSA-N
XLogP0.11
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile 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-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
2-amino-4-(1-methylpiperidin-4-yl)butanenitrile;ethane;molecular hydrogen
CID 142227898
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
CID 63236525
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile?
The IUPAC name of 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile (CID 63273995) is 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile.
What is the SMILES notation for 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile?
The canonical SMILES for 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile is CN(CCC(N)C#N)CC1CCN(C)C1.
What is the InChIKey of 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile?
The InChIKey is FWIOZOSRGGLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14-5-3-10(8-14)9-15(2)6-4-11(13)7-12/h10-11H,3-6,8-9,13H2,1-2H3.
What are the key properties of 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile?
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile is sourced from PubChem (CID 63273995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).