3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine

C13H20N2 — CID 155185066

IUPAC3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine
SMILESCC(C)C1=CC2N=C(N)C(C)(C)C2C=C1
InChIInChI=1S/C13H20N2/c1-8(2)9-5-6-10-11(7-9)15-12(14)13(10,3)4/h5-8,10-11H,1-4H3,(H2,14,15)
InChIKeyFVDZPUDZCZGKAN-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.52
Rot. Bonds1

About 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine

3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine (PubChem CID 155185066) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine
PubChem CID155185066
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine
SMILESCC(C)C1=CC2N=C(N)C(C)(C)C2C=C1
InChIInChI=1S/C13H20N2/c1-8(2)9-5-6-10-11(7-9)15-12(14)13(10,3)4/h5-8,10-11H,1-4H3,(H2,14,15)
InChIKeyFVDZPUDZCZGKAN-UHFFFAOYSA-N
XLogP2.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine?
The IUPAC name of 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine (CID 155185066) is 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine.
What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine?
The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine is CC(C)C1=CC2N=C(N)C(C)(C)C2C=C1.
What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine?
The InChIKey is FVDZPUDZCZGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-8(2)9-5-6-10-11(7-9)15-12(14)13(10,3)4/h5-8,10-11H,1-4H3,(H2,14,15).
What are the key properties of 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine?
3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-propan-2-yl-3a,7a-dihydroindol-2-amine is sourced from PubChem (CID 155185066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).