bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine

C43H66N4O5 — CID 157324027

IUPACbis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine
SMILESCC(C)(C)OC(=O)n1ccc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CCCN(C)C1CCCCC1.CCCN1CCOCC1
InChIInChI=1S/2C13H15NO2.C10H21N.C7H15NO/c2*1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-3-9-11(2)10-7-5-4-6-8-10;1-2-3-8-4-6-9-7-5-8/h2*4-9H,1-3H3;10H,3-9H2,1-2H3;2-7H2,1H3
InChIKeyBEMQLSGRDITRSW-UHFFFAOYSA-N
MW719.02 g/mol
LogP10.24
Rot. Bonds5

About bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine

bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine (PubChem CID 157324027) has the molecular formula C43H66N4O5 and a molecular weight of 719.02 g/mol. Its IUPAC name is bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine.

Molecular Properties

Compound Namebis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine
PubChem CID157324027
Molecular FormulaC43H66N4O5
Molecular Weight719.02 g/mol
Exact Mass718.50
IUPAC Namebis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine
SMILESCC(C)(C)OC(=O)n1ccc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CCCN(C)C1CCCCC1.CCCN1CCOCC1
InChIInChI=1S/2C13H15NO2.C10H21N.C7H15NO/c2*1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-3-9-11(2)10-7-5-4-6-8-10;1-2-3-8-4-6-9-7-5-8/h2*4-9H,1-3H3;10H,3-9H2,1-2H3;2-7H2,1H3
InChIKeyBEMQLSGRDITRSW-UHFFFAOYSA-N
XLogP10.24
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.02
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

bis(tert-butyl indole-1-carboxylate);N,N-dimethylethanamine;4-ethylmorpholine
CID 123845567
tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate
CID 66890074
tert-butyl (2S)-2-(indole-1-carbonyl)pyrrolidine-1-carboxylate
CID 177394660
tert-butyl furo[3,4-b]pyrrole-1-carboxylate
CID 168870620
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 23544628
tert-butyl 2-(cyclohexylmethyl)pyrrole-1-carboxylate
CID 131744647
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
4-[methyl(2-morpholin-4-ylethyl)amino]cyclohexan-1-one
CID 79120517
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl 5-formylindole-1-carboxylate
CID 11172622

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine?
The IUPAC name of bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine (CID 157324027) is bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine.
What is the SMILES notation for bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine?
The canonical SMILES for bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine is CC(C)(C)OC(=O)n1ccc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CCCN(C)C1CCCCC1.CCCN1CCOCC1.
What is the InChIKey of bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine?
The InChIKey is BEMQLSGRDITRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15NO2.C10H21N.C7H15NO/c2*1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-3-9-11(2)10-7-5-4-6-8-10;1-2-3-8-4-6-9-7-5-8/h2*4-9H,1-3H3;10H,3-9H2,1-2H3;2-7H2,1H3.
What are the key properties of bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine?
bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine has a molecular weight of 719.02 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl indole-1-carboxylate);N-methyl-N-propylcyclohexanamine;4-propylmorpholine is sourced from PubChem (CID 157324027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).