(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine

C12H14N2 — CID 131036821

IUPAC(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h3-7,10,14H,1,13H2,2H3/t10-/m1/s1
InChIKeyCAGZTZRKAYAWFB-SNVBAGLBSA-N
MW186.26 g/mol
LogP2.66
Rot. Bonds2

About (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine

(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine (PubChem CID 131036821) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
PubChem CID131036821
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h3-7,10,14H,1,13H2,2H3/t10-/m1/s1
InChIKeyCAGZTZRKAYAWFB-SNVBAGLBSA-N
XLogP2.66
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine
CID 55272808
3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol
CID 142132542
(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
CID 131048155
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362
5-methyl-2-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 135007255
2-methanidyl-5-methyl-1H-indole;yttrium
CID 59004658
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
1-(5-methyl-1H-indol-2-yl)cyclopropan-1-amine
CID 82405741
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199836
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine (CID 131036821) is (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cc2cc(C)ccc2[nH]1.
What is the InChIKey of (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine?
The InChIKey is CAGZTZRKAYAWFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h3-7,10,14H,1,13H2,2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine?
(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 131036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).