[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine

C13H20N2 — CID 115105768

IUPAC[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
SMILESCC(C)CN1CCc2ccc(CN)cc21
InChIInChI=1S/C13H20N2/c1-10(2)9-15-6-5-12-4-3-11(8-14)7-13(12)15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyYFAUXHVVOPTYJT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.16
Rot. Bonds3

About [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine

[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine (PubChem CID 115105768) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
PubChem CID115105768
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
SMILESCC(C)CN1CCc2ccc(CN)cc21
InChIInChI=1S/C13H20N2/c1-10(2)9-15-6-5-12-4-3-11(8-14)7-13(12)15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyYFAUXHVVOPTYJT-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine?
The IUPAC name of [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine (CID 115105768) is [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine.
What is the SMILES notation for [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine?
The canonical SMILES for [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine is CC(C)CN1CCc2ccc(CN)cc21.
What is the InChIKey of [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine?
The InChIKey is YFAUXHVVOPTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)9-15-6-5-12-4-3-11(8-14)7-13(12)15/h3-4,7,10H,5-6,8-9,14H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine?
[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine is sourced from PubChem (CID 115105768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).