N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine

C18H26N2O — CID 3044866

IUPACN,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine
SMILESCc1cccc2c1c1c(n2C)C(C)(CCN(C)C)OCC1
InChIInChI=1S/C18H26N2O/c1-13-7-6-8-15-16(13)14-9-12-21-18(2,10-11-19(3)4)17(14)20(15)5/h6-8H,9-12H2,1-5H3
InChIKeyRJAMPYUPRCUFPA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.23
Rot. Bonds3

About N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine

N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine (PubChem CID 3044866) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine
PubChem CID3044866
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine
SMILESCc1cccc2c1c1c(n2C)C(C)(CCN(C)C)OCC1
InChIInChI=1S/C18H26N2O/c1-13-7-6-8-15-16(13)14-9-12-21-18(2,10-11-19(3)4)17(14)20(15)5/h6-8H,9-12H2,1-5H3
InChIKeyRJAMPYUPRCUFPA-UHFFFAOYSA-N
XLogP3.23
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.23
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-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine (CID 3044866) is N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine is Cc1cccc2c1c1c(n2C)C(C)(CCN(C)C)OCC1.
What is the InChIKey of N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine?
The InChIKey is RJAMPYUPRCUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-6-8-15-16(13)14-9-12-21-18(2,10-11-19(3)4)17(14)20(15)5/h6-8H,9-12H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine?
N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.23, 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-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine is sourced from PubChem (CID 3044866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).