2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile

C12H24N4 — CID 79315150

IUPAC2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCCN1CCCC1CN(C)CC(C)(N)C#N
InChIInChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)8-15(3)10-12(2,14)9-13/h11H,4-8,10,14H2,1-3H3
InChIKeyMEMSVPRIGKVRHV-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.64
Rot. Bonds5

About 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile

2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile (PubChem CID 79315150) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
PubChem CID79315150
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCCN1CCCC1CN(C)CC(C)(N)C#N
InChIInChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)8-15(3)10-12(2,14)9-13/h11H,4-8,10,14H2,1-3H3
InChIKeyMEMSVPRIGKVRHV-UHFFFAOYSA-N
XLogP0.64
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
CID 79309509
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
CID 79315355
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile (CID 79315150) is 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile is CCN1CCCC1CN(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The InChIKey is MEMSVPRIGKVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)8-15(3)10-12(2,14)9-13/h11H,4-8,10,14H2,1-3H3.
What are the key properties of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 79315150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).