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

C16H20N4 — CID 10468253

IUPACN,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCc1nccn1-c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C16H20N4/c1-12-17-7-9-20(12)14-4-5-16-15(10-14)13(11-18-16)6-8-19(2)3/h4-5,7,9-11,18H,6,8H2,1-3H3
InChIKeyFKWIKKLASAZVLL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.77
Rot. Bonds4

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

N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10468253) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
PubChem CID10468253
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCc1nccn1-c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C16H20N4/c1-12-17-7-9-20(12)14-4-5-16-15(10-14)13(11-18-16)6-8-19(2)3/h4-5,7,9-11,18H,6,8H2,1-3H3
InChIKeyFKWIKKLASAZVLL-UHFFFAOYSA-N
XLogP2.77
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.77
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)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine (CID 10468253) is N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine is Cc1nccn1-c1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is FKWIKKLASAZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-17-7-9-20(12)14-4-5-16-15(10-14)13(11-18-16)6-8-19(2)3/h4-5,7,9-11,18H,6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.77, 4 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)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10468253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).