N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine

C15H20N2 — CID 114477146

IUPACN-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
SMILESC=C(C)CCn1ccc2ccc(CNC)cc21
InChIInChI=1S/C15H20N2/c1-12(2)6-8-17-9-7-14-5-4-13(11-16-3)10-15(14)17/h4-5,7,9-10,16H,1,6,8,11H2,2-3H3
InChIKeyPSQOPOJRUBTPKM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine

N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine (PubChem CID 114477146) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
PubChem CID114477146
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
SMILESC=C(C)CCn1ccc2ccc(CNC)cc21
InChIInChI=1S/C15H20N2/c1-12(2)6-8-17-9-7-14-5-4-13(11-16-3)10-15(14)17/h4-5,7,9-10,16H,1,6,8,11H2,2-3H3
InChIKeyPSQOPOJRUBTPKM-UHFFFAOYSA-N
XLogP3.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
CID 107010398
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 102916558
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102916956

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine (CID 114477146) is N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine is C=C(C)CCn1ccc2ccc(CNC)cc21.
What is the InChIKey of N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine?
The InChIKey is PSQOPOJRUBTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)6-8-17-9-7-14-5-4-13(11-16-3)10-15(14)17/h4-5,7,9-10,16H,1,6,8,11H2,2-3H3.
What are the key properties of N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine?
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine is sourced from PubChem (CID 114477146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).