2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile

C18H25N3 — CID 102914573

IUPAC2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
SMILESCC(C)NCc1cccc2ccn(CCC(C)(C)C#N)c12
InChIInChI=1S/C18H25N3/c1-14(2)20-12-16-7-5-6-15-8-10-21(17(15)16)11-9-18(3,4)13-19/h5-8,10,14,20H,9,11-12H2,1-4H3
InChIKeyUWLGOFHLRNTLDO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.08
Rot. Bonds6

About 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile

2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile (PubChem CID 102914573) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
PubChem CID102914573
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
SMILESCC(C)NCc1cccc2ccn(CCC(C)(C)C#N)c12
InChIInChI=1S/C18H25N3/c1-14(2)20-12-16-7-5-6-15-8-10-21(17(15)16)11-9-18(3,4)13-19/h5-8,10,14,20H,9,11-12H2,1-4H3
InChIKeyUWLGOFHLRNTLDO-UHFFFAOYSA-N
XLogP4.08
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
CID 102914690
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
5-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylpentanenitrile
CID 115955004
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile (CID 102914573) is 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile is CC(C)NCc1cccc2ccn(CCC(C)(C)C#N)c12.
What is the InChIKey of 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile?
The InChIKey is UWLGOFHLRNTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)20-12-16-7-5-6-15-8-10-21(17(15)16)11-9-18(3,4)13-19/h5-8,10,14,20H,9,11-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile?
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile has a molecular weight of 283.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile is sourced from PubChem (CID 102914573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).