2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine

C17H24N2O — CID 103864389

IUPAC2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
SMILESCN1CCc2cc(CNC3CCOC3C3CC3)ccc21
InChIInChI=1S/C17H24N2O/c1-19-8-6-14-10-12(2-5-16(14)19)11-18-15-7-9-20-17(15)13-3-4-13/h2,5,10,13,15,17-18H,3-4,6-9,11H2,1H3
InChIKeyKJQBIHGNFLGNFL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.34
Rot. Bonds4

About 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine

2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine (PubChem CID 103864389) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
PubChem CID103864389
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
SMILESCN1CCc2cc(CNC3CCOC3C3CC3)ccc21
InChIInChI=1S/C17H24N2O/c1-19-8-6-14-10-12(2-5-16(14)19)11-18-15-7-9-20-17(15)13-3-4-13/h2,5,10,13,15,17-18H,3-4,6-9,11H2,1H3
InChIKeyKJQBIHGNFLGNFL-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62095806
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62096160

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine (CID 103864389) is 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine is CN1CCc2cc(CNC3CCOC3C3CC3)ccc21.
What is the InChIKey of 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The InChIKey is KJQBIHGNFLGNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-8-6-14-10-12(2-5-16(14)19)11-18-15-7-9-20-17(15)13-3-4-13/h2,5,10,13,15,17-18H,3-4,6-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine has a molecular weight of 272.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 103864389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).