2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine

C16H24N2 — CID 115105814

IUPAC2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine
SMILESCNCCc1ccc2c(c1)N(CC1CCC1)CC2
InChIInChI=1S/C16H24N2/c1-17-9-7-13-5-6-15-8-10-18(16(15)11-13)12-14-3-2-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3
InChIKeyBBRSYFPAMSIWHP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine

2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine (PubChem CID 115105814) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine
PubChem CID115105814
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine
SMILESCNCCc1ccc2c(c1)N(CC1CCC1)CC2
InChIInChI=1S/C16H24N2/c1-17-9-7-13-5-6-15-8-10-18(16(15)11-13)12-14-3-2-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3
InChIKeyBBRSYFPAMSIWHP-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-propyl-2,3-dihydroindol-6-yl)ethanamine
CID 115105803
[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105775
1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
CID 115105849
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
CID 115106109
2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 115105966
N-methyl-1-[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105770
8-bromo-1-(oxan-4-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 175164732
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105873
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine (CID 115105814) is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine is CNCCc1ccc2c(c1)N(CC1CCC1)CC2.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine?
The InChIKey is BBRSYFPAMSIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-9-7-13-5-6-15-8-10-18(16(15)11-13)12-14-3-2-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3.
What are the key properties of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine?
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine is sourced from PubChem (CID 115105814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).