1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine

C17H23N — CID 114190611

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23N/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16H,4,6-8,18H2,1-3H3
InChIKeyVHYUMBIYNCDTEJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.61
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine

1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine (PubChem CID 114190611) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
PubChem CID114190611
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23N/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16H,4,6-8,18H2,1-3H3
InChIKeyVHYUMBIYNCDTEJ-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol
CID 114190708
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114194407
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207092
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine (CID 114190611) is 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine is CC(C)(C)C#CCC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine?
The InChIKey is VHYUMBIYNCDTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16H,4,6-8,18H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine is sourced from PubChem (CID 114190611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).