N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine

C15H20N2O — CID 15011385

IUPACN,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc3c(c12)CCCO3
InChIInChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyRMMYVKPVLLBYDW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine

N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine (PubChem CID 15011385) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
PubChem CID15011385
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc3c(c12)CCCO3
InChIInChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyRMMYVKPVLLBYDW-UHFFFAOYSA-N
XLogP2.60
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine (CID 15011385) is N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine is CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3.
What is the InChIKey of N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The InChIKey is RMMYVKPVLLBYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine is sourced from PubChem (CID 15011385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).