3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine

C17H26N2 — CID 107235802

IUPAC3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cn(C)c2ccccc12
InChIInChI=1S/C17H26N2/c1-5-17(6-2,7-3)18-12-14-13-19(4)16-11-9-8-10-15(14)16/h8-11,13,18H,5-7,12H2,1-4H3
InChIKeyCZRAHLWHDKCMQM-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.24
Rot. Bonds6

About 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine

3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine (PubChem CID 107235802) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
PubChem CID107235802
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cn(C)c2ccccc12
InChIInChI=1S/C17H26N2/c1-5-17(6-2,7-3)18-12-14-13-19(4)16-11-9-8-10-15(14)16/h8-11,13,18H,5-7,12H2,1-4H3
InChIKeyCZRAHLWHDKCMQM-UHFFFAOYSA-N
XLogP4.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-decyl-1-methylindole
CID 10802084
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine (CID 107235802) is 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1cn(C)c2ccccc12.
What is the InChIKey of 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine?
The InChIKey is CZRAHLWHDKCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-17(6-2,7-3)18-12-14-13-19(4)16-11-9-8-10-15(14)16/h8-11,13,18H,5-7,12H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine?
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 107235802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).