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

C14H18N2 — CID 114477026

IUPAC[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
SMILESC=C(C)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C14H18N2/c1-11(2)7-8-16-10-12(9-15)13-5-3-4-6-14(13)16/h3-6,10H,1,7-9,15H2,2H3
InChIKeyYWULGRSZBXWDME-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.07
Rot. Bonds4

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

[1-(3-methylbut-3-enyl)indol-3-yl]methanamine (PubChem CID 114477026) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-(3-methylbut-3-enyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
PubChem CID114477026
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
SMILESC=C(C)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C14H18N2/c1-11(2)7-8-16-10-12(9-15)13-5-3-4-6-14(13)16/h3-6,10H,1,7-9,15H2,2H3
InChIKeyYWULGRSZBXWDME-UHFFFAOYSA-N
XLogP3.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.07
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

N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
CID 106717671
[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
CID 106717670
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbut-3-enyl)indol-3-yl]methanamine?
The IUPAC name of [1-(3-methylbut-3-enyl)indol-3-yl]methanamine (CID 114477026) is [1-(3-methylbut-3-enyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(3-methylbut-3-enyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(3-methylbut-3-enyl)indol-3-yl]methanamine is C=C(C)CCn1cc(CN)c2ccccc21.
What is the InChIKey of [1-(3-methylbut-3-enyl)indol-3-yl]methanamine?
The InChIKey is YWULGRSZBXWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)7-8-16-10-12(9-15)13-5-3-4-6-14(13)16/h3-6,10H,1,7-9,15H2,2H3.
What are the key properties of [1-(3-methylbut-3-enyl)indol-3-yl]methanamine?
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbut-3-enyl)indol-3-yl]methanamine is sourced from PubChem (CID 114477026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).