1H-indole;propan-2-amine

C11H16N2 — CID 172785583

IUPAC1H-indole;propan-2-amine
SMILESCC(C)N.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6,9H;3H,4H2,1-2H3
InChIKeyOVRPGRCJTAPVJQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.52
Rot. Bonds

About 1H-indole;propan-2-amine

1H-indole;propan-2-amine (PubChem CID 172785583) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1H-indole;propan-2-amine.

Molecular Properties

Compound Name1H-indole;propan-2-amine
PubChem CID172785583
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1H-indole;propan-2-amine
SMILESCC(C)N.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6,9H;3H,4H2,1-2H3
InChIKeyOVRPGRCJTAPVJQ-UHFFFAOYSA-N
XLogP2.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174930358
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CID 67840647
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1H-indole;1,4,7-triazonane
CID 158488040
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Frequently Asked Questions

What is the IUPAC name of 1H-indole;propan-2-amine?
The IUPAC name of 1H-indole;propan-2-amine (CID 172785583) is 1H-indole;propan-2-amine.
What is the SMILES notation for 1H-indole;propan-2-amine?
The canonical SMILES for 1H-indole;propan-2-amine is CC(C)N.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;propan-2-amine?
The InChIKey is OVRPGRCJTAPVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6,9H;3H,4H2,1-2H3.
What are the key properties of 1H-indole;propan-2-amine?
1H-indole;propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;propan-2-amine is sourced from PubChem (CID 172785583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).