N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine

C16H24N2 — CID 96674945

IUPACN-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
SMILESCNCCCc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-12(2)13-7-8-16-15(10-13)14(11-18(16)4)6-5-9-17-3/h7-8,10-12,17H,5-6,9H2,1-4H3
InChIKeyWESQKERBSHOHEB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine

N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine (PubChem CID 96674945) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
PubChem CID96674945
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
SMILESCNCCCc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-12(2)13-7-8-16-15(10-13)14(11-18(16)4)6-5-9-17-3/h7-8,10-12,17H,5-6,9H2,1-4H3
InChIKeyWESQKERBSHOHEB-UHFFFAOYSA-N
XLogP3.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.45
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 N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine (CID 96674945) is N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine is CNCCCc1cn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine?
The InChIKey is WESQKERBSHOHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)13-7-8-16-15(10-13)14(11-18(16)4)6-5-9-17-3/h7-8,10-12,17H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine?
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine is sourced from PubChem (CID 96674945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).