N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine

C16H24N2 — CID 166038734

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-5-10-18(3)13(2)11-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyGALDKYJEIODXAC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.83
Rot. Bonds6

About N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine

N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine (PubChem CID 166038734) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
PubChem CID166038734
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-5-10-18(3)13(2)11-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyGALDKYJEIODXAC-UHFFFAOYSA-N
XLogP3.83
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethyloctyl)-1H-indole
CID 126495753
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
CID 23623089
(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
3-(2-fluoropropyl)-1H-indole
CID 142409179
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 174489222
1-(1H-indol-3-yl)butan-2-amine
CID 8367
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine (CID 166038734) is N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine is CCCCN(C)C(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine?
The InChIKey is GALDKYJEIODXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-5-10-18(3)13(2)11-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine?
N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 166038734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).