1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine

C15H20N2O — CID 10131066

IUPAC1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine
SMILESCC(N)Cc1cn(C)c2ccc3c(c12)CCCO3
InChIInChI=1S/C15H20N2O/c1-10(16)8-11-9-17(2)13-5-6-14-12(15(11)13)4-3-7-18-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyHPEOSNKVEAJRAK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.39
Rot. Bonds2

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

1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine (PubChem CID 10131066) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine
PubChem CID10131066
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine
SMILESCC(N)Cc1cn(C)c2ccc3c(c12)CCCO3
InChIInChI=1S/C15H20N2O/c1-10(16)8-11-9-17(2)13-5-6-14-12(15(11)13)4-3-7-18-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyHPEOSNKVEAJRAK-UHFFFAOYSA-N
XLogP2.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine?
The IUPAC name of 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine (CID 10131066) is 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine is CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3.
What is the InChIKey of 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine?
The InChIKey is HPEOSNKVEAJRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(16)8-11-9-17(2)13-5-6-14-12(15(11)13)4-3-7-18-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine?
1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)propan-2-amine is sourced from PubChem (CID 10131066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).