N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine

C15H22N2 — CID 62562519

IUPACN-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-6-5-12(2)11-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeyNUHLWQRYTGDCDH-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine

N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine (PubChem CID 62562519) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
PubChem CID62562519
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-6-5-12(2)11-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeyNUHLWQRYTGDCDH-UHFFFAOYSA-N
XLogP3.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
CID 63556189
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
1-(2-bromoethyl)-6-methylindole
CID 130577129
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
1-decyl-6-methylindole
CID 116546893
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62562539
1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926
1-cyclopropyl-N-[2-(5-methylindol-1-yl)ethyl]ethanamine
CID 63556200
4-methyl-N-[2-(6-methylindol-1-yl)ethyl]cyclohexan-1-amine
CID 63506793
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine (CID 62562519) is N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine is CCC(C)NCCn1ccc2ccc(C)cc21.
What is the InChIKey of N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine?
The InChIKey is NUHLWQRYTGDCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-6-5-12(2)11-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3.
What are the key properties of N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine?
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine has a molecular weight of 230.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62562519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).