3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile

C10H20N4 — CID 62977137

IUPAC3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
SMILESCN(C)CCNC1(C#N)CCN(C)C1
InChIInChI=1S/C10H20N4/c1-13(2)7-5-12-10(8-11)4-6-14(3)9-10/h12H,4-7,9H2,1-3H3
InChIKeyBFRHPGPLNKDPMJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.26
Rot. Bonds4

About 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile

3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile (PubChem CID 62977137) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
PubChem CID62977137
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
SMILESCN(C)CCNC1(C#N)CCN(C)C1
InChIInChI=1S/C10H20N4/c1-13(2)7-5-12-10(8-11)4-6-14(3)9-10/h12H,4-7,9H2,1-3H3
InChIKeyBFRHPGPLNKDPMJ-UHFFFAOYSA-N
XLogP-0.26
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile
CID 28703069
1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
CID 62976756
4-[2-(dimethylamino)ethylamino]oxepane-4-carbonitrile
CID 65079338
1-methyl-4-(propylamino)azepane-4-carbonitrile
CID 65075051
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
CID 65089402
4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
CID 28702914
5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
CID 115349226
3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
CID 149448490

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile (CID 62977137) is 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile is CN(C)CCNC1(C#N)CCN(C)C1.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile?
The InChIKey is BFRHPGPLNKDPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-13(2)7-5-12-10(8-11)4-6-14(3)9-10/h12H,4-7,9H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile?
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile has a molecular weight of 196.30 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 62977137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).