N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

C17H24N2O — CID 62261840

IUPACN-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCN2CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H24N2O/c1-2-4-16-14(3-1)7-9-19(16)12-17(8-10-20-13-17)11-18-15-5-6-15/h1-4,15,18H,5-13H2
InChIKeyINXQISLFQYDTHJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.21
Rot. Bonds5

About N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261840) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261840
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCN2CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H24N2O/c1-2-4-16-14(3-1)7-9-19(16)12-17(8-10-20-13-17)11-18-15-5-6-15/h1-4,15,18H,5-13H2
InChIKeyINXQISLFQYDTHJ-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62261840) is N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is c1ccc2c(c1)CCN2CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is INXQISLFQYDTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-4-16-14(3-1)7-9-19(16)12-17(8-10-20-13-17)11-18-15-5-6-15/h1-4,15,18H,5-13H2.
What are the key properties of N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 272.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).