2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile

C18H23N3O — CID 84757207

IUPAC2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile
SMILESCOc1ccc2[nH]cc(C(C#N)N(C)C3CCCCC3)c2c1
InChIInChI=1S/C18H23N3O/c1-21(13-6-4-3-5-7-13)18(11-19)16-12-20-17-9-8-14(22-2)10-15(16)17/h8-10,12-13,18,20H,3-7H2,1-2H3
InChIKeyJDCKZLNROUZIHN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.01
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile

2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile (PubChem CID 84757207) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile
PubChem CID84757207
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile
SMILESCOc1ccc2[nH]cc(C(C#N)N(C)C3CCCCC3)c2c1
InChIInChI=1S/C18H23N3O/c1-21(13-6-4-3-5-7-13)18(11-19)16-12-20-17-9-8-14(22-2)10-15(16)17/h8-10,12-13,18,20H,3-7H2,1-2H3
InChIKeyJDCKZLNROUZIHN-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
CID 84757170
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
2-(5-methoxy-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 84817572
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
2-(3-ethoxypropylamino)-2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84817475
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645004

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile (CID 84757207) is 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile is COc1ccc2[nH]cc(C(C#N)N(C)C3CCCCC3)c2c1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile?
The InChIKey is JDCKZLNROUZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(13-6-4-3-5-7-13)18(11-19)16-12-20-17-9-8-14(22-2)10-15(16)17/h8-10,12-13,18,20H,3-7H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile?
2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile has a molecular weight of 297.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 84757207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).