3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine

C16H24N2 — CID 170866943

IUPAC3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCn1c(C)c(CCCN(C)C)c2ccccc21
InChIInChI=1S/C16H24N2/c1-5-18-13(2)14(10-8-12-17(3)4)15-9-6-7-11-16(15)18/h6-7,9,11H,5,8,10,12H2,1-4H3
InChIKeyPGBBEUKIZAXLEM-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.46
Rot. Bonds5

About 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine

3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170866943) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID170866943
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCn1c(C)c(CCCN(C)C)c2ccccc21
InChIInChI=1S/C16H24N2/c1-5-18-13(2)14(10-8-12-17(3)4)15-9-6-7-11-16(15)18/h6-7,9,11H,5,8,10,12H2,1-4H3
InChIKeyPGBBEUKIZAXLEM-UHFFFAOYSA-N
XLogP3.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
CID 163999461
CID 163999461
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17159795
2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
CID 45095754
3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
CID 170868097
N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 170866976
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721
2-[3-[2-[[4-(dimethylamino)phenyl]sulfonyl-methylamino]ethyl]-2-methylindol-1-yl]acetic acid
CID 163778327
2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol
CID 50923194

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine (CID 170866943) is 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine is CCn1c(C)c(CCCN(C)C)c2ccccc21.
What is the InChIKey of 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is PGBBEUKIZAXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-18-13(2)14(10-8-12-17(3)4)15-9-6-7-11-16(15)18/h6-7,9,11H,5,8,10,12H2,1-4H3.
What are the key properties of 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine?
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).