1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile

C15H19N3 — CID 117038171

IUPAC1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N)CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C15H19N3/c16-11-15(17)8-5-13(6-9-15)18-10-7-12-3-1-2-4-14(12)18/h1-4,13H,5-10,17H2
InChIKeySMGMILXAYHQDJD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.21
Rot. Bonds1

About 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile

1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 117038171) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
PubChem CID117038171
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N)CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C15H19N3/c16-11-15(17)8-5-13(6-9-15)18-10-7-12-3-1-2-4-14(12)18/h1-4,13H,5-10,17H2
InChIKeySMGMILXAYHQDJD-UHFFFAOYSA-N
XLogP2.21
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
CID 117038204
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
4-amino-1-(2-cyanophenyl)piperidine-4-carbonitrile
CID 117013110
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
CID 19919898
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile
CID 22038219
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43291692

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile (CID 117038171) is 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile is N#CC1(N)CCC(N2CCc3ccccc32)CC1.
What is the InChIKey of 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is SMGMILXAYHQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-15(17)8-5-13(6-9-15)18-10-7-12-3-1-2-4-14(12)18/h1-4,13H,5-10,17H2.
What are the key properties of 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 117038171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).