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

C17H24N2 — CID 107010398

IUPAC1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
SMILESC=CCCCCCn1ccc2ccc(CNC)cc21
InChIInChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-9-8-15(14-18-2)13-17(16)19/h3,8-10,12-13,18H,1,4-7,11,14H2,2H3
InChIKeyPTOHGHJXTUMECY-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds8

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

1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine (PubChem CID 107010398) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
PubChem CID107010398
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
SMILESC=CCCCCCn1ccc2ccc(CNC)cc21
InChIInChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-9-8-15(14-18-2)13-17(16)19/h3,8-10,12-13,18H,1,4-7,11,14H2,2H3
InChIKeyPTOHGHJXTUMECY-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-5-yl)-N-methylmethanamine
CID 107010388
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
1-pent-4-enylindole-6-carbonitrile
CID 107917054
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
1-hept-6-enylindole-5-carbaldehyde
CID 107008123
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 102916558

Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine (CID 107010398) is 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine is C=CCCCCCn1ccc2ccc(CNC)cc21.
What is the InChIKey of 1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine?
The InChIKey is PTOHGHJXTUMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-4-5-6-7-11-19-12-10-16-9-8-15(14-18-2)13-17(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-6-yl)-N-methylmethanamine?
1-(1-hept-6-enylindol-6-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-6-yl)-N-methylmethanamine is sourced from PubChem (CID 107010398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).