3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile

C12H19N3 — CID 66416364

IUPAC3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccn(CC)c1
InChIInChI=1S/C12H19N3/c1-3-12(5-7-13)14-9-11-6-8-15(4-2)10-11/h6,8,10,12,14H,3-5,9H2,1-2H3
InChIKeyUQQWDVSBJSOPDG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds6

About 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile

3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile (PubChem CID 66416364) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
PubChem CID66416364
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccn(CC)c1
InChIInChI=1S/C12H19N3/c1-3-12(5-7-13)14-9-11-6-8-15(4-2)10-11/h6,8,10,12,14H,3-5,9H2,1-2H3
InChIKeyUQQWDVSBJSOPDG-UHFFFAOYSA-N
XLogP2.29
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
3-[(4-methylsulfanylphenyl)methylamino]pentanenitrile
CID 62646048
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
3-[(4-pyrrolidin-1-ylphenyl)methylamino]pentanenitrile
CID 62648370
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile
CID 62645694
3-[(4-bromo-3-fluorophenyl)methylamino]pentanenitrile
CID 81436828
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]pentanenitrile
CID 62646050
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile?
The IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile (CID 66416364) is 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile is CCC(CC#N)NCc1ccn(CC)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile?
The InChIKey is UQQWDVSBJSOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-12(5-7-13)14-9-11-6-8-15(4-2)10-11/h6,8,10,12,14H,3-5,9H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile?
3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile has a molecular weight of 205.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile is sourced from PubChem (CID 66416364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).