(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine

C18H28N2O — CID 133202870

IUPAC(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
SMILESCCCCn1c(C)c(CN)c2cc(OC(C)CC)ccc21
InChIInChI=1S/C18H28N2O/c1-5-7-10-20-14(4)17(12-19)16-11-15(8-9-18(16)20)21-13(3)6-2/h8-9,11,13H,5-7,10,12,19H2,1-4H3
InChIKeyBAJUIJRGIMTHFK-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.39
Rot. Bonds7

About (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine

(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine (PubChem CID 133202870) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
PubChem CID133202870
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
SMILESCCCCn1c(C)c(CN)c2cc(OC(C)CC)ccc21
InChIInChI=1S/C18H28N2O/c1-5-7-10-20-14(4)17(12-19)16-11-15(8-9-18(16)20)21-13(3)6-2/h8-9,11,13H,5-7,10,12,19H2,1-4H3
InChIKeyBAJUIJRGIMTHFK-UHFFFAOYSA-N
XLogP4.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine
CID 133214787
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
1-(3-aminopropyl)-2-methyl-3-propylindole-5-carboxylic acid
CID 83944551
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
1-butyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83944298
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine?
The IUPAC name of (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine (CID 133202870) is (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine.
What is the SMILES notation for (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine?
The canonical SMILES for (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine is CCCCn1c(C)c(CN)c2cc(OC(C)CC)ccc21.
What is the InChIKey of (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine?
The InChIKey is BAJUIJRGIMTHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-7-10-20-14(4)17(12-19)16-11-15(8-9-18(16)20)21-13(3)6-2/h8-9,11,13H,5-7,10,12,19H2,1-4H3.
What are the key properties of (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine?
(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine has a molecular weight of 288.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine is sourced from PubChem (CID 133202870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).