3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine

C16H24N2 — CID 96674967

IUPAC3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1[nH]c2c(C)cccc2c1CCCNC(C)C
InChIInChI=1S/C16H24N2/c1-11(2)17-10-6-9-14-13(4)18-16-12(3)7-5-8-15(14)16/h5,7-8,11,17-18H,6,9-10H2,1-4H3
InChIKeyBEVAIYJSNWOAGE-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine

3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 96674967) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID96674967
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1[nH]c2c(C)cccc2c1CCCNC(C)C
InChIInChI=1S/C16H24N2/c1-11(2)17-10-6-9-14-13(4)18-16-12(3)7-5-8-15(14)16/h5,7-8,11,17-18H,6,9-10H2,1-4H3
InChIKeyBEVAIYJSNWOAGE-UHFFFAOYSA-N
XLogP3.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563
1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
CID 130005740
2,3-dihydroxybutanedioic acid;2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 6612556
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine (CID 96674967) is 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine is Cc1[nH]c2c(C)cccc2c1CCCNC(C)C.
What is the InChIKey of 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is BEVAIYJSNWOAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)17-10-6-9-14-13(4)18-16-12(3)7-5-8-15(14)16/h5,7-8,11,17-18H,6,9-10H2,1-4H3.
What are the key properties of 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 96674967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).