4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine

C15H22N2 — CID 107236533

IUPAC4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1c(C)c2ccccc2n1C
InChIInChI=1S/C15H22N2/c1-11(16-3)9-10-14-12(2)13-7-5-6-8-15(13)17(14)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyZRAKMSRZSLVBHZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.03
Rot. Bonds4

About 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine

4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine (PubChem CID 107236533) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
PubChem CID107236533
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1c(C)c2ccccc2n1C
InChIInChI=1S/C15H22N2/c1-11(16-3)9-10-14-12(2)13-7-5-6-8-15(13)17(14)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyZRAKMSRZSLVBHZ-UHFFFAOYSA-N
XLogP3.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
1,3-dimethyl-2-tridecylindole
CID 122371242
1-(1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83859797
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235840
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine (CID 107236533) is 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine is CNC(C)CCc1c(C)c2ccccc2n1C.
What is the InChIKey of 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine?
The InChIKey is ZRAKMSRZSLVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(16-3)9-10-14-12(2)13-7-5-6-8-15(13)17(14)4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine?
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 107236533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).