2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile

C14H28N4 — CID 79315856

IUPAC2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)CN(C)CC1CCCN1C
InChIInChI=1S/C14H28N4/c1-5-8-16-14(2,11-15)12-17(3)10-13-7-6-9-18(13)4/h13,16H,5-10,12H2,1-4H3
InChIKeyYDWKFHIYBWAFNV-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds7

About 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile

2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile (PubChem CID 79315856) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
PubChem CID79315856
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)CN(C)CC1CCCN1C
InChIInChI=1S/C14H28N4/c1-5-8-16-14(2,11-15)12-17(3)10-13-7-6-9-18(13)4/h13,16H,5-10,12H2,1-4H3
InChIKeyYDWKFHIYBWAFNV-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile (CID 79315856) is 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile is CCCNC(C)(C#N)CN(C)CC1CCCN1C.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile?
The InChIKey is YDWKFHIYBWAFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-8-16-14(2,11-15)12-17(3)10-13-7-6-9-18(13)4/h13,16H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile?
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile is sourced from PubChem (CID 79315856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).