N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine

C17H22N4 — CID 10379049

IUPACN,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1nccn1Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C17H22N4/c1-13-18-7-9-21(13)12-14-4-5-17-16(10-14)15(11-19-17)6-8-20(2)3/h4-5,7,9-11,19H,6,8,12H2,1-3H3
InChIKeyPQJCUCYJHHAAPI-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.83
Rot. Bonds5

About N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10379049) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10379049
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1nccn1Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C17H22N4/c1-13-18-7-9-21(13)12-14-4-5-17-16(10-14)15(11-19-17)6-8-20(2)3/h4-5,7,9-11,19H,6,8,12H2,1-3H3
InChIKeyPQJCUCYJHHAAPI-UHFFFAOYSA-N
XLogP2.83
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10379049) is N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine is Cc1nccn1Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is PQJCUCYJHHAAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-18-7-9-21(13)12-14-4-5-17-16(10-14)15(11-19-17)6-8-20(2)3/h4-5,7,9-11,19H,6,8,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).