3-(2-methyl-1H-indol-3-yl)butan-1-amine

C13H18N2 — CID 82397034

IUPAC3-(2-methyl-1H-indol-3-yl)butan-1-amine
SMILESCc1[nH]c2ccccc2c1C(C)CCN
InChIInChI=1S/C13H18N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyMTQUYOTTYLLZCA-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.93
Rot. Bonds3

About 3-(2-methyl-1H-indol-3-yl)butan-1-amine

3-(2-methyl-1H-indol-3-yl)butan-1-amine (PubChem CID 82397034) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)butan-1-amine
PubChem CID82397034
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(2-methyl-1H-indol-3-yl)butan-1-amine
SMILESCc1[nH]c2ccccc2c1C(C)CCN
InChIInChI=1S/C13H18N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyMTQUYOTTYLLZCA-UHFFFAOYSA-N
XLogP2.93
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 65333195
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)butan-1-amine (CID 82397034) is 3-(2-methyl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)butan-1-amine is Cc1[nH]c2ccccc2c1C(C)CCN.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)butan-1-amine?
The InChIKey is MTQUYOTTYLLZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of 3-(2-methyl-1H-indol-3-yl)butan-1-amine?
3-(2-methyl-1H-indol-3-yl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 82397034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).