methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate

C16H22N2O2 — CID 143326148

IUPACmethyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate
SMILESCCC(CCNC)n1ccc2ccc(C(=O)OC)cc21
InChIInChI=1S/C16H22N2O2/c1-4-14(7-9-17-2)18-10-8-12-5-6-13(11-15(12)18)16(19)20-3/h5-6,8,10-11,14,17H,4,7,9H2,1-3H3
InChIKeyWRXBWFBQWHXICY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.99
Rot. Bonds6

About methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate

methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate (PubChem CID 143326148) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate
PubChem CID143326148
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate
SMILESCCC(CCNC)n1ccc2ccc(C(=O)OC)cc21
InChIInChI=1S/C16H22N2O2/c1-4-14(7-9-17-2)18-10-8-12-5-6-13(11-15(12)18)16(19)20-3/h5-6,8,10-11,14,17H,4,7,9H2,1-3H3
InChIKeyWRXBWFBQWHXICY-UHFFFAOYSA-N
XLogP2.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 164731183
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
methyl 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-6-carboxylate
CID 25206594
methyl 2-hexan-3-ylindazole-5-carboxylate
CID 175951890
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
CID 175301452
methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
CID 4985597
methyl 4-[3-(methylamino)propylsulfanyl]benzoate
CID 106441067
methyl 2-bromo-1-methylindole-6-carboxylate
CID 131471893
methyl 2-(aminomethyl)-1-methylindole-6-carboxylate
CID 84786095

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate?
The IUPAC name of methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate (CID 143326148) is methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate is CCC(CCNC)n1ccc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate?
The InChIKey is WRXBWFBQWHXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-14(7-9-17-2)18-10-8-12-5-6-13(11-15(12)18)16(19)20-3/h5-6,8,10-11,14,17H,4,7,9H2,1-3H3.
What are the key properties of methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate?
methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate is sourced from PubChem (CID 143326148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).