3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile

C14H28N4 — CID 79315355

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
SMILESCCN1CCCC1CN(C)CC(C#N)NC(C)C
InChIInChI=1S/C14H28N4/c1-5-18-8-6-7-14(18)11-17(4)10-13(9-15)16-12(2)3/h12-14,16H,5-8,10-11H2,1-4H3
InChIKeyFGDWUXPODKBLGP-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds7

About 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 79315355) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
PubChem CID79315355
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
SMILESCCN1CCCC1CN(C)CC(C#N)NC(C)C
InChIInChI=1S/C14H28N4/c1-5-18-8-6-7-14(18)11-17(4)10-13(9-15)16-12(2)3/h12-14,16H,5-8,10-11H2,1-4H3
InChIKeyFGDWUXPODKBLGP-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

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79315150
3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile
CID 22893163
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile (CID 79315355) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile is CCN1CCCC1CN(C)CC(C#N)NC(C)C.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is FGDWUXPODKBLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-18-8-6-7-14(18)11-17(4)10-13(9-15)16-12(2)3/h12-14,16H,5-8,10-11H2,1-4H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)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 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 79315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).