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

C15H22N2 — CID 63556206

IUPAC2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(ccn2CCNCC(C)C)c1
InChIInChI=1S/C15H22N2/c1-12(2)11-16-7-9-17-8-6-14-10-13(3)4-5-15(14)17/h4-6,8,10,12,16H,7,9,11H2,1-3H3
InChIKeyMXIMUHWEOYRRKS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.20
Rot. Bonds5

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

2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine (PubChem CID 63556206) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
PubChem CID63556206
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(ccn2CCNCC(C)C)c1
InChIInChI=1S/C15H22N2/c1-12(2)11-16-7-9-17-8-6-14-10-13(3)4-5-15(14)17/h4-6,8,10,12,16H,7,9,11H2,1-3H3
InChIKeyMXIMUHWEOYRRKS-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
CID 63556189
N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
CID 55218506
1-cyclopropyl-N-[2-(5-methylindol-1-yl)ethyl]ethanamine
CID 63556200
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
1-(2-methoxyethyl)-5-methylindole
CID 116622979
5-methyl-1-(2-pyridin-4-ylethyl)indole
CID 116622832
3-bromo-N-[2-(5-methylindol-1-yl)ethyl]aniline
CID 63556023
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine (CID 63556206) is 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine is Cc1ccc2c(ccn2CCNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine?
The InChIKey is MXIMUHWEOYRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)11-16-7-9-17-8-6-14-10-13(3)4-5-15(14)17/h4-6,8,10,12,16H,7,9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63556206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).