2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine

C17H31NO — CID 142100009

IUPAC2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCC.CC(C)(C)C.C[C@@H]1CCc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO.C5H12.C2H6/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5(2,3)4;1-2/h4-7H,2-3,11H2,1H3;1-4H3;1-2H3/t7-;;/m1../s1
InChIKeyIQWFXMXTJBGNOJ-XCUBXKJBSA-N
MW265.44 g/mol
LogP5.06
Rot. Bonds

About 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine

2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine (PubChem CID 142100009) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
PubChem CID142100009
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCC.CC(C)(C)C.C[C@@H]1CCc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO.C5H12.C2H6/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5(2,3)4;1-2/h4-7H,2-3,11H2,1H3;1-4H3;1-2H3/t7-;;/m1../s1
InChIKeyIQWFXMXTJBGNOJ-XCUBXKJBSA-N
XLogP5.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine with MolForge

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Related Compounds

2-tert-butyl-3,4-dihydro-2H-chromen-6-amine
CID 117046595
6-ethyl-2-methyl-3,4-dihydro-2H-chromene
CID 143125132
6-[(2-methyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 14307268
2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046590
1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
CID 117335065
2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
CID 163794602
2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
CID 57170099
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046583
2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
CID 142030949
5,6-dihydrobenzo[b][1]benzoxepine-3,8-diamine
CID 68966932
methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine (CID 142100009) is 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine is CC.CC(C)(C)C.C[C@@H]1CCc2cc(N)ccc2O1.
What is the InChIKey of 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is IQWFXMXTJBGNOJ-XCUBXKJBSA-N. The full InChI is InChI=1S/C10H13NO.C5H12.C2H6/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5(2,3)4;1-2/h4-7H,2-3,11H2,1H3;1-4H3;1-2H3/t7-;;/m1../s1.
What are the key properties of 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine?
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 265.44 g/mol, XLogP of 5.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 142100009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).