(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine

C14H21N3 — CID 96599431

IUPAC(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc2c([C@@H](CN)N(C)C)c[nH]c12
InChIInChI=1S/C14H21N3/c1-4-10-6-5-7-11-12(9-16-14(10)11)13(8-15)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3/t13-/m1/s1
InChIKeyWUWKHQMLFFVFKW-CYBMUJFWSA-N
MW231.34 g/mol
LogP2.29
Rot. Bonds4

About (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine

(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 96599431) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID96599431
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc2c([C@@H](CN)N(C)C)c[nH]c12
InChIInChI=1S/C14H21N3/c1-4-10-6-5-7-11-12(9-16-14(10)11)13(8-15)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3/t13-/m1/s1
InChIKeyWUWKHQMLFFVFKW-CYBMUJFWSA-N
XLogP2.29
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
CID 76846668
2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
CID 76846651
cyclohexyl-(7-ethyl-1H-indol-3-yl)methanamine
CID 82277764
4-[bis(7-ethyl-1H-indol-3-yl)methyl]-N,N-diethylaniline
CID 22332437
7-ethyl-3-methyl-1H-indole
CID 13271010
N-[2-[bis(7-ethyl-1H-indol-3-yl)methyl]phenyl]methanesulfonamide
CID 42609985
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine (CID 96599431) is (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine is CCc1cccc2c([C@@H](CN)N(C)C)c[nH]c12.
What is the InChIKey of (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is WUWKHQMLFFVFKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-10-6-5-7-11-12(9-16-14(10)11)13(8-15)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 96599431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).