1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine

C15H26N2S — CID 114125100

IUPAC1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCSCCCCCCn1ccc2c1CCCC2N
InChIInChI=1S/C15H26N2S/c1-18-12-5-3-2-4-10-17-11-9-13-14(16)7-6-8-15(13)17/h9,11,14H,2-8,10,12,16H2,1H3
InChIKeyDQZVSZHLGMYKFF-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.75
Rot. Bonds7

About 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine

1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 114125100) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID114125100
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCSCCCCCCn1ccc2c1CCCC2N
InChIInChI=1S/C15H26N2S/c1-18-12-5-3-2-4-10-17-11-9-13-14(16)7-6-8-15(13)17/h9,11,14H,2-8,10,12,16H2,1H3
InChIKeyDQZVSZHLGMYKFF-UHFFFAOYSA-N
XLogP3.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63960650
1-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63826901
4-(4-amino-4,5,6,7-tetrahydroindol-1-yl)-N-cyclopropylbutanamide
CID 79401388
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
3-[2-(4-amino-4,5,6,7-tetrahydroindol-1-yl)ethyl]-1,1-dimethylurea
CID 83114674
1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine
CID 102907888
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 79237972
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63712868
1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 80724304
1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 63925154
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 63362626
1-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 114401128

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine (CID 114125100) is 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine is CSCCCCCCn1ccc2c1CCCC2N.
What is the InChIKey of 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is DQZVSZHLGMYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-18-12-5-3-2-4-10-17-11-9-13-14(16)7-6-8-15(13)17/h9,11,14H,2-8,10,12,16H2,1H3.
What are the key properties of 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 266.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 114125100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).