1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine

C16H20N4 — CID 102915693

IUPAC1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2CCCn2ccnc2)c1
InChIInChI=1S/C16H20N4/c1-17-12-14-3-4-16-15(11-14)5-9-20(16)8-2-7-19-10-6-18-13-19/h3-6,9-11,13,17H,2,7-8,12H2,1H3
InChIKeyDLMIVVFEGBNIOI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.65
Rot. Bonds6

About 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine

1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine (PubChem CID 102915693) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
PubChem CID102915693
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2CCCn2ccnc2)c1
InChIInChI=1S/C16H20N4/c1-17-12-14-3-4-16-15(11-14)5-9-20(16)8-2-7-19-10-6-18-13-19/h3-6,9-11,13,17H,2,7-8,12H2,1H3
InChIKeyDLMIVVFEGBNIOI-UHFFFAOYSA-N
XLogP2.65
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
1-[4-(3-imidazol-1-ylpropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 61494997
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
2-bromo-N-(2-imidazol-1-ylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106018081

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine (CID 102915693) is 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine is CNCc1ccc2c(ccn2CCCn2ccnc2)c1.
What is the InChIKey of 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine?
The InChIKey is DLMIVVFEGBNIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-12-14-3-4-16-15(11-14)5-9-20(16)8-2-7-19-10-6-18-13-19/h3-6,9-11,13,17H,2,7-8,12H2,1H3.
What are the key properties of 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine?
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 102915693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).