1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile

C20H21N3 — CID 41272010

IUPAC1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
SMILESCc1c(CN[C@H](C)c2ccc3ccccc3c2)cc(C#N)n1C
InChIInChI=1S/C20H21N3/c1-14(17-9-8-16-6-4-5-7-18(16)10-17)22-13-19-11-20(12-21)23(3)15(19)2/h4-11,14,22H,13H2,1-3H3/t14-/m1/s1
InChIKeyCBJIBQQHFWLZSD-CQSZACIVSA-N
MW303.41 g/mol
LogP4.21
Rot. Bonds4

About 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile (PubChem CID 41272010) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
PubChem CID41272010
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
SMILESCc1c(CN[C@H](C)c2ccc3ccccc3c2)cc(C#N)n1C
InChIInChI=1S/C20H21N3/c1-14(17-9-8-16-6-4-5-7-18(16)10-17)22-13-19-11-20(12-21)23(3)15(19)2/h4-11,14,22H,13H2,1-3H3/t14-/m1/s1
InChIKeyCBJIBQQHFWLZSD-CQSZACIVSA-N
XLogP4.21
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865078
4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865076
1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572961
4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572779
1,5-dimethyl-4-[(1-pyridin-2-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572777
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572947
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
1,5-dimethyl-4-[(pent-4-en-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115633152
1,5-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115640075
4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 94778637
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile (CID 41272010) is 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile is Cc1c(CN[C@H](C)c2ccc3ccccc3c2)cc(C#N)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile?
The InChIKey is CBJIBQQHFWLZSD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3/c1-14(17-9-8-16-6-4-5-7-18(16)10-17)22-13-19-11-20(12-21)23(3)15(19)2/h4-11,14,22H,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile has a molecular weight of 303.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 41272010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).