2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine

C17H28N2 — CID 91239309

IUPAC2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine
SMILESNC1CCc2ccccc21.[H]/N=C(\CCC)C(C)(C)C
InChIInChI=1S/C9H11N.C8H17N/c10-9-6-5-7-3-1-2-4-8(7)9;1-5-6-7(9)8(2,3)4/h1-4,9H,5-6,10H2;9H,5-6H2,1-4H3/b;9-7+
InChIKeyHPTQUSDDJVWFOK-FXDYKFNQSA-N
MW260.42 g/mol
LogP4.48
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine

2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine (PubChem CID 91239309) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine
PubChem CID91239309
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine
SMILESNC1CCc2ccccc21.[H]/N=C(\CCC)C(C)(C)C
InChIInChI=1S/C9H11N.C8H17N/c10-9-6-5-7-3-1-2-4-8(7)9;1-5-6-7(9)8(2,3)4/h1-4,9H,5-6,10H2;9H,5-6H2,1-4H3/b;9-7+
InChIKeyHPTQUSDDJVWFOK-FXDYKFNQSA-N
XLogP4.48
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
1-ethyl-2,3-dihydro-1H-indene
CID 20971
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560606
2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 65252108
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(1S)-2,3-dihydro-1H-inden-1-amine
CID 122423664
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)butan-1-one
CID 114962262
6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167617330
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63980779

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine?
The IUPAC name of 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine (CID 91239309) is 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine is NC1CCc2ccccc21.[H]/N=C(\CCC)C(C)(C)C.
What is the InChIKey of 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine?
The InChIKey is HPTQUSDDJVWFOK-FXDYKFNQSA-N. The full InChI is InChI=1S/C9H11N.C8H17N/c10-9-6-5-7-3-1-2-4-8(7)9;1-5-6-7(9)8(2,3)4/h1-4,9H,5-6,10H2;9H,5-6H2,1-4H3/b;9-7+.
What are the key properties of 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine?
2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine has a molecular weight of 260.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine is sourced from PubChem (CID 91239309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).