N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine

C15H18N4 — CID 102916641

IUPACN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3cncn3C)c2c1
InChIInChI=1S/C15H18N4/c1-16-8-12-3-4-13-5-6-19(15(13)7-12)10-14-9-17-11-18(14)2/h3-7,9,11,16H,8,10H2,1-2H3
InChIKeyOMVWJCJWBFVLIW-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine

N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine (PubChem CID 102916641) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
PubChem CID102916641
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3cncn3C)c2c1
InChIInChI=1S/C15H18N4/c1-16-8-12-3-4-13-5-6-19(15(13)7-12)10-14-9-17-11-18(14)2/h3-7,9,11,16H,8,10H2,1-2H3
InChIKeyOMVWJCJWBFVLIW-UHFFFAOYSA-N
XLogP2.14
TPSA34.78 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116621978
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
1-[(3-methylimidazol-4-yl)methyl]-5-nitroindole
CID 116619218
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine (CID 102916641) is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine is CNCc1ccc2ccn(Cc3cncn3C)c2c1.
What is the InChIKey of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine?
The InChIKey is OMVWJCJWBFVLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-8-12-3-4-13-5-6-19(15(13)7-12)10-14-9-17-11-18(14)2/h3-7,9,11,16H,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine?
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine is sourced from PubChem (CID 102916641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).