[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine

C15H18N4 — CID 102916378

IUPAC[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
SMILESCc1nccn1CCn1ccc2ccc(CN)cc21
InChIInChI=1S/C15H18N4/c1-12-17-5-7-18(12)8-9-19-6-4-14-3-2-13(11-16)10-15(14)19/h2-7,10H,8-9,11,16H2,1H3
InChIKeyCIZPSXKSYRYJRO-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.31
Rot. Bonds4

About [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine

[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine (PubChem CID 102916378) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
PubChem CID102916378
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
SMILESCc1nccn1CCn1ccc2ccc(CN)cc21
InChIInChI=1S/C15H18N4/c1-12-17-5-7-18(12)8-9-19-6-4-14-3-2-13(11-16)10-15(14)19/h2-7,10H,8-9,11,16H2,1H3
InChIKeyCIZPSXKSYRYJRO-UHFFFAOYSA-N
XLogP2.31
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916473
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 62950336
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine?
The IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine (CID 102916378) is [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine?
The canonical SMILES for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine is Cc1nccn1CCn1ccc2ccc(CN)cc21.
What is the InChIKey of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine?
The InChIKey is CIZPSXKSYRYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-17-5-7-18(12)8-9-19-6-4-14-3-2-13(11-16)10-15(14)19/h2-7,10H,8-9,11,16H2,1H3.
What are the key properties of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine?
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine is sourced from PubChem (CID 102916378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).