5-methyl-1-(3-methylbut-3-enyl)indole

C14H17N — CID 114476776

IUPAC5-methyl-1-(3-methylbut-3-enyl)indole
SMILESC=C(C)CCn1ccc2cc(C)ccc21
InChIInChI=1S/C14H17N/c1-11(2)6-8-15-9-7-13-10-12(3)4-5-14(13)15/h4-5,7,9-10H,1,6,8H2,2-3H3
InChIKeyBFAAUMKZUNBSJH-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.92
Rot. Bonds3

About 5-methyl-1-(3-methylbut-3-enyl)indole

5-methyl-1-(3-methylbut-3-enyl)indole (PubChem CID 114476776) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbut-3-enyl)indole.

Molecular Properties

Compound Name5-methyl-1-(3-methylbut-3-enyl)indole
PubChem CID114476776
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name5-methyl-1-(3-methylbut-3-enyl)indole
SMILESC=C(C)CCn1ccc2cc(C)ccc21
InChIInChI=1S/C14H17N/c1-11(2)6-8-15-9-7-13-10-12(3)4-5-14(13)15/h4-5,7,9-10H,1,6,8H2,2-3H3
InChIKeyBFAAUMKZUNBSJH-UHFFFAOYSA-N
XLogP3.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
1-(2-methoxyethyl)-5-methylindole
CID 116622979
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(5-methylindol-1-yl)propan-1-one
CID 166282648
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
5-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116622885
1-(methoxymethyl)-5-methylindole
CID 110831319
N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
CID 55218506
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
5-methyl-1-(2-pyridin-4-ylethyl)indole
CID 116622832
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
2,2-dimethyl-6-(5-methylindol-1-yl)hexanoic acid
CID 106714189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbut-3-enyl)indole?
The IUPAC name of 5-methyl-1-(3-methylbut-3-enyl)indole (CID 114476776) is 5-methyl-1-(3-methylbut-3-enyl)indole.
What is the SMILES notation for 5-methyl-1-(3-methylbut-3-enyl)indole?
The canonical SMILES for 5-methyl-1-(3-methylbut-3-enyl)indole is C=C(C)CCn1ccc2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-(3-methylbut-3-enyl)indole?
The InChIKey is BFAAUMKZUNBSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)6-8-15-9-7-13-10-12(3)4-5-14(13)15/h4-5,7,9-10H,1,6,8H2,2-3H3.
What are the key properties of 5-methyl-1-(3-methylbut-3-enyl)indole?
5-methyl-1-(3-methylbut-3-enyl)indole has a molecular weight of 199.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbut-3-enyl)indole is sourced from PubChem (CID 114476776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).