(3-propan-2-yl-1H-indol-6-yl)methanamine

C12H16N2 — CID 115017611

IUPAC(3-propan-2-yl-1H-indol-6-yl)methanamine
SMILESCC(C)c1c[nH]c2cc(CN)ccc12
InChIInChI=1S/C12H16N2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyGYLZSDRRMUPWQK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.75
Rot. Bonds2

About (3-propan-2-yl-1H-indol-6-yl)methanamine

(3-propan-2-yl-1H-indol-6-yl)methanamine (PubChem CID 115017611) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3-propan-2-yl-1H-indol-6-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-yl-1H-indol-6-yl)methanamine
PubChem CID115017611
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3-propan-2-yl-1H-indol-6-yl)methanamine
SMILESCC(C)c1c[nH]c2cc(CN)ccc12
InChIInChI=1S/C12H16N2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyGYLZSDRRMUPWQK-UHFFFAOYSA-N
XLogP2.75
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1H-indol-6-yl)methanamine?
The IUPAC name of (3-propan-2-yl-1H-indol-6-yl)methanamine (CID 115017611) is (3-propan-2-yl-1H-indol-6-yl)methanamine.
What is the SMILES notation for (3-propan-2-yl-1H-indol-6-yl)methanamine?
The canonical SMILES for (3-propan-2-yl-1H-indol-6-yl)methanamine is CC(C)c1c[nH]c2cc(CN)ccc12.
What is the InChIKey of (3-propan-2-yl-1H-indol-6-yl)methanamine?
The InChIKey is GYLZSDRRMUPWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3.
What are the key properties of (3-propan-2-yl-1H-indol-6-yl)methanamine?
(3-propan-2-yl-1H-indol-6-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1H-indol-6-yl)methanamine is sourced from PubChem (CID 115017611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).