2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine

C16H24N2 — CID 117118853

IUPAC2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine
SMILESCC(C)(N)c1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C16H24N2/c1-16(2,17)14-8-4-7-13-9-10-18(15(13)14)11-12-5-3-6-12/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3
InChIKeyFMUMMNZREGKQFI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.04
Rot. Bonds3

About 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine

2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine (PubChem CID 117118853) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine
PubChem CID117118853
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine
SMILESCC(C)(N)c1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C16H24N2/c1-16(2,17)14-8-4-7-13-9-10-18(15(13)14)11-12-5-3-6-12/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3
InChIKeyFMUMMNZREGKQFI-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine?
The IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine (CID 117118853) is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine is CC(C)(N)c1cccc2c1N(CC1CCC1)CC2.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine?
The InChIKey is FMUMMNZREGKQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2,17)14-8-4-7-13-9-10-18(15(13)14)11-12-5-3-6-12/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3.
What are the key properties of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine?
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.04, 3 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-7-yl]propan-2-amine is sourced from PubChem (CID 117118853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).