2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile

C11H22N4 — CID 117004565

IUPAC2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile
SMILESCN(C)CCN1CCC(N(C)CC#N)C1
InChIInChI=1S/C11H22N4/c1-13(2)8-9-15-6-4-11(10-15)14(3)7-5-12/h11H,4,6-10H2,1-3H3
InChIKeyNSJZIRWNHJRZES-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.08
Rot. Bonds5

About 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile (PubChem CID 117004565) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile
PubChem CID117004565
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile
SMILESCN(C)CCN1CCC(N(C)CC#N)C1
InChIInChI=1S/C11H22N4/c1-13(2)8-9-15-6-4-11(10-15)14(3)7-5-12/h11H,4,6-10H2,1-3H3
InChIKeyNSJZIRWNHJRZES-UHFFFAOYSA-N
XLogP0.08
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-methoxypropyl)pyrrolidin-3-yl]-methylamino]acetonitrile
CID 117004563
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile
CID 117004825
2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
CID 117004768
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
CID 63387040
2-[methyl-[1-(4-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004843
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004856
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile (CID 117004565) is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile is CN(C)CCN1CCC(N(C)CC#N)C1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile?
The InChIKey is NSJZIRWNHJRZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-13(2)8-9-15-6-4-11(10-15)14(3)7-5-12/h11H,4,6-10H2,1-3H3.
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile?
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile has a molecular weight of 210.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile is sourced from PubChem (CID 117004565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).