N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine

C13H16N2 — CID 169474897

IUPACN-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
SMILESCNCC=Cc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C13H16N2/c1-10-5-6-12-11(4-3-7-14-2)9-15-13(12)8-10/h3-6,8-9,14-15H,7H2,1-2H3
InChIKeyBUBGEFWDUIDIPL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine

N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine (PubChem CID 169474897) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
PubChem CID169474897
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
SMILESCNCC=Cc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C13H16N2/c1-10-5-6-12-11(4-3-7-14-2)9-15-13(12)8-10/h3-6,8-9,14-15H,7H2,1-2H3
InChIKeyBUBGEFWDUIDIPL-UHFFFAOYSA-N
XLogP2.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
CID 170876576
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
(6-methyl-1H-indol-3-yl)methanimine
CID 143049497
6-bromo-3-(3-bromoprop-1-enyl)-1H-indole
CID 169476751
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
CID 169474327
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
3-methoxy-6-methyl-1H-indole
CID 58841092
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
S-[3-(6-chloro-1H-indol-3-yl)prop-2-enyl] ethanethioate
CID 169458583
3-(6-methyl-1H-indol-3-yl)-2-nitroprop-2-enoic acid
CID 173434285
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
N-(6-methyl-1H-indol-3-yl)methanimine
CID 142032561

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine (CID 169474897) is N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine is CNCC=Cc1c[nH]c2cc(C)ccc12.
What is the InChIKey of N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine?
The InChIKey is BUBGEFWDUIDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-5-6-12-11(4-3-7-14-2)9-15-13(12)8-10/h3-6,8-9,14-15H,7H2,1-2H3.
What are the key properties of N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine?
N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 169474897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).