1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C17H26N2 — CID 106223790

IUPAC1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESC#CC(CCC)n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C17H26N2/c1-6-8-13(7-2)19-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h2,9,13,15H,6,8,10-11,18H2,1,3-5H3
InChIKeyNPMLBBAKIYQMJT-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.74
Rot. Bonds3

About 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 106223790) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID106223790
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESC#CC(CCC)n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C17H26N2/c1-6-8-13(7-2)19-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h2,9,13,15H,6,8,10-11,18H2,1,3-5H3
InChIKeyNPMLBBAKIYQMJT-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464666
2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
CID 106282512
2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
CID 83023419
2,6,6-trimethyl-1-(2-prop-2-ynylsulfanylethyl)-5,7-dihydro-4H-indol-4-amine
CID 106432346
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943
2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
CID 114539933
2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 113466885
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466785
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 113464841
2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
CID 113466125
1-(2-cyclopentylethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466449

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 106223790) is 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is C#CC(CCC)n1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is NPMLBBAKIYQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-8-13(7-2)19-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h2,9,13,15H,6,8,10-11,18H2,1,3-5H3.
What are the key properties of 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106223790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).