N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine

C15H22N2 — CID 63556189

IUPACN-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1ccc2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-11-12(2)5-6-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeySSBRAMOLBYGGTQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine

N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine (PubChem CID 63556189) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
PubChem CID63556189
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1ccc2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-11-12(2)5-6-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeySSBRAMOLBYGGTQ-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-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
1-cyclopropyl-N-[2-(5-methylindol-1-yl)ethyl]ethanamine
CID 63556200
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
CID 55218506
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 63879551
1-(2-methoxyethyl)-5-methylindole
CID 116622979
(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)butan-2-amine
CID 160583702
3-bromo-N-[2-(5-methylindol-1-yl)ethyl]aniline
CID 63556023

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine (CID 63556189) is N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine is CCC(C)NCCn1ccc2cc(C)ccc21.
What is the InChIKey of N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine?
The InChIKey is SSBRAMOLBYGGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-13(3)16-8-10-17-9-7-14-11-12(2)5-6-15(14)17/h5-7,9,11,13,16H,4,8,10H2,1-3H3.
What are the key properties of N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine?
N-[2-(5-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-(5-methylindol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63556189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).