tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate

C19H28N2O2 — CID 107242335

IUPACtert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate
SMILESCC1CCC(Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-13-5-6-15(11-13)20-16-7-8-17-14(12-16)9-10-21(17)18(22)23-19(2,3)4/h7-8,12-13,15,20H,5-6,9-11H2,1-4H3
InChIKeyIFRICWVGAUCKFF-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.58
Rot. Bonds2

About tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate

tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate (PubChem CID 107242335) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate
PubChem CID107242335
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate
SMILESCC1CCC(Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-13-5-6-15(11-13)20-16-7-8-17-14(12-16)9-10-21(17)18(22)23-19(2,3)4/h7-8,12-13,15,20H,5-6,9-11H2,1-4H3
InChIKeyIFRICWVGAUCKFF-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate
CID 75516887
tert-butyl 6-(azetidin-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107242293
tert-butyl 6-(oxolan-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103819032
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103747948
tert-butyl 5-(3-methoxybutan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 103932189
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
CID 113354038
tert-butyl 5-(1-ethylsulfonylpropan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 113354040
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
CID 4547632

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate (CID 107242335) is tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate is CC1CCC(Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is IFRICWVGAUCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-5-6-15(11-13)20-16-7-8-17-14(12-16)9-10-21(17)18(22)23-19(2,3)4/h7-8,12-13,15,20H,5-6,9-11H2,1-4H3.
What are the key properties of tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 107242335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).