1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine

C12H18N2 — CID 167075156

IUPAC1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine
SMILESCC(C)C1C=C(N)C=C2C1C=CN2C
InChIInChI=1S/C12H18N2/c1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3/h4-8,10-11H,13H2,1-3H3
InChIKeyBFEOUTWTHLNZQG-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.07
Rot. Bonds1

About 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine

1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine (PubChem CID 167075156) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine
PubChem CID167075156
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine
SMILESCC(C)C1C=C(N)C=C2C1C=CN2C
InChIInChI=1S/C12H18N2/c1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3/h4-8,10-11H,13H2,1-3H3
InChIKeyBFEOUTWTHLNZQG-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine?
The IUPAC name of 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine (CID 167075156) is 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine?
The canonical SMILES for 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine is CC(C)C1C=C(N)C=C2C1C=CN2C.
What is the InChIKey of 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine?
The InChIKey is BFEOUTWTHLNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3/h4-8,10-11H,13H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine?
1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine has a molecular weight of 190.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine is sourced from PubChem (CID 167075156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).