2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine

C16H24N2 — CID 62565422

IUPAC2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
SMILESCc1cn(CCCNCC(C)C)c2ccccc12
InChIInChI=1S/C16H24N2/c1-13(2)11-17-9-6-10-18-12-14(3)15-7-4-5-8-16(15)18/h4-5,7-8,12-13,17H,6,9-11H2,1-3H3
InChIKeyXTVAQZRVEHYQGR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.59
Rot. Bonds6

About 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine

2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine (PubChem CID 62565422) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
PubChem CID62565422
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
SMILESCc1cn(CCCNCC(C)C)c2ccccc12
InChIInChI=1S/C16H24N2/c1-13(2)11-17-9-6-10-18-12-14(3)15-7-4-5-8-16(15)18/h4-5,7-8,12-13,17H,6,9-11H2,1-3H3
InChIKeyXTVAQZRVEHYQGR-UHFFFAOYSA-N
XLogP3.59
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine (CID 62565422) is 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine is Cc1cn(CCCNCC(C)C)c2ccccc12.
What is the InChIKey of 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine?
The InChIKey is XTVAQZRVEHYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)11-17-9-6-10-18-12-14(3)15-7-4-5-8-16(15)18/h4-5,7-8,12-13,17H,6,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine?
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 62565422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).