N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine

C16H22N2O — CID 10244251

IUPACN,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
SMILESCN(C)CCc1cn(C)c2ccc3c(c12)CCCO3
InChIInChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyIQIJKZDKEPJSMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.61
Rot. Bonds3

About N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine

N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine (PubChem CID 10244251) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
PubChem CID10244251
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
SMILESCN(C)CCc1cn(C)c2ccc3c(c12)CCCO3
InChIInChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyIQIJKZDKEPJSMH-UHFFFAOYSA-N
XLogP2.61
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine (CID 10244251) is N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine is CN(C)CCc1cn(C)c2ccc3c(c12)CCCO3.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine?
The InChIKey is IQIJKZDKEPJSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine?
N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine has a molecular weight of 258.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine is sourced from PubChem (CID 10244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).