[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine

C15H20N2O2 — CID 82500584

IUPAC[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
SMILESCOc1cc(OC)c2c(c1)c(C1(CN)CC1)cn2C
InChIInChI=1S/C15H20N2O2/c1-17-8-12(15(9-16)4-5-15)11-6-10(18-2)7-13(19-3)14(11)17/h6-8H,4-5,9,16H2,1-3H3
InChIKeyXFQNMRRGVLYHSI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds4

About [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine

[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine (PubChem CID 82500584) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
PubChem CID82500584
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
SMILESCOc1cc(OC)c2c(c1)c(C1(CN)CC1)cn2C
InChIInChI=1S/C15H20N2O2/c1-17-8-12(15(9-16)4-5-15)11-6-10(18-2)7-13(19-3)14(11)17/h6-8H,4-5,9,16H2,1-3H3
InChIKeyXFQNMRRGVLYHSI-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine (CID 82500584) is [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine is COc1cc(OC)c2c(c1)c(C1(CN)CC1)cn2C.
What is the InChIKey of [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine?
The InChIKey is XFQNMRRGVLYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-12(15(9-16)4-5-15)11-6-10(18-2)7-13(19-3)14(11)17/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine?
[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82500584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).