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

C15H22N2O — CID 82725756

IUPAC2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O/c1-11-14(6-8-18-11)16-10-12-3-4-15-13(9-12)5-7-17(15)2/h3-4,9,11,14,16H,5-8,10H2,1-2H3
InChIKeyZEQBYYINQSBCSC-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds3

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

2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine (PubChem CID 82725756) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
PubChem CID82725756
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O/c1-11-14(6-8-18-11)16-10-12-3-4-15-13(9-12)5-7-17(15)2/h3-4,9,11,14,16H,5-8,10H2,1-2H3
InChIKeyZEQBYYINQSBCSC-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
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-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
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-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747
[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
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62096160
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine (CID 82725756) is 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine is CC1OCCC1NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
The InChIKey is ZEQBYYINQSBCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-14(6-8-18-11)16-10-12-3-4-15-13(9-12)5-7-17(15)2/h3-4,9,11,14,16H,5-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine?
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine has a molecular weight of 246.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 82725756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).