tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate

C19H28N2O2 — CID 104583957

IUPACtert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate
SMILESC=CCCC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-6-7-8-14(2)20-16-9-10-17-15(13-16)11-12-21(17)18(22)23-19(3,4)5/h6,9-10,13-14,20H,1,7-8,11-12H2,2-5H3
InChIKeySRIMHBGKWACYCS-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate

tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate (PubChem CID 104583957) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate
PubChem CID104583957
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate
SMILESC=CCCC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-6-7-8-14(2)20-16-9-10-17-15(13-16)11-12-21(17)18(22)23-19(3,4)5/h6,9-10,13-14,20H,1,7-8,11-12H2,2-5H3
InChIKeySRIMHBGKWACYCS-UHFFFAOYSA-N
XLogP4.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-(1-ethylsulfonylpropan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 113354040
tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
CID 113354038
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-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-(pentan-2-ylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 107249287
tert-butyl 6-(4-oxobutan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117488524
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate
CID 107242335
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate (CID 104583957) is tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate is C=CCCC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate?
The InChIKey is SRIMHBGKWACYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-7-8-14(2)20-16-9-10-17-15(13-16)11-12-21(17)18(22)23-19(3,4)5/h6,9-10,13-14,20H,1,7-8,11-12H2,2-5H3.
What are the key properties of tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 104583957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).