1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine

C17H24N2 — CID 107010388

IUPAC1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
SMILESC=CCCCCCn1ccc2cc(CNC)ccc21
InChIInChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-13-15(14-18-2)8-9-17(16)19/h3,8-10,12-13,18H,1,4-7,11,14H2,2H3
InChIKeyLLUOTOGQLDGNCR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds8

About 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine

1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine (PubChem CID 107010388) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
PubChem CID107010388
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
SMILESC=CCCCCCn1ccc2cc(CNC)ccc21
InChIInChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-13-15(14-18-2)8-9-17(16)19/h3,8-10,12-13,18H,1,4-7,11,14H2,2H3
InChIKeyLLUOTOGQLDGNCR-UHFFFAOYSA-N
XLogP4.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
CID 107010398
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-hept-6-enylindole-5-carbaldehyde
CID 107008123
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955

Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine (CID 107010388) is 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine is C=CCCCCCn1ccc2cc(CNC)ccc21.
What is the InChIKey of 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine?
The InChIKey is LLUOTOGQLDGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-13-15(14-18-2)8-9-17(16)19/h3,8-10,12-13,18H,1,4-7,11,14H2,2H3.
What are the key properties of 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine?
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine has a molecular weight of 256.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 107010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).