(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine

C12H23NO — CID 143076623

IUPAC(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine
SMILESCCC(C)(C)[C@@H](N)C1=CCCC(C)O1
InChIInChI=1S/C12H23NO/c1-5-12(3,4)11(13)10-8-6-7-9(2)14-10/h8-9,11H,5-7,13H2,1-4H3/t9?,11-/m0/s1
InChIKeyJUBPLTFXQBLPKB-UMJHXOGRSA-N
MW197.32 g/mol
LogP2.83
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine

(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine (PubChem CID 143076623) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine
PubChem CID143076623
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine
SMILESCCC(C)(C)[C@@H](N)C1=CCCC(C)O1
InChIInChI=1S/C12H23NO/c1-5-12(3,4)11(13)10-8-6-7-9(2)14-10/h8-9,11H,5-7,13H2,1-4H3/t9?,11-/m0/s1
InChIKeyJUBPLTFXQBLPKB-UMJHXOGRSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanamine
CID 131015027
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073385
2,2-Dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89205627
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533
(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
CID 143080311
[(2R,3R)-2,3-dimethyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 144712353
(Z)-1-(3-ethyloxetan-3-yl)-2-prop-1-en-2-yloxybut-2-en-1-amine
CID 145566369
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 102647141
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-amine
CID 102647144
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-amine
CID 102647444

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine (CID 143076623) is (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine is CCC(C)(C)[C@@H](N)C1=CCCC(C)O1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The InChIKey is JUBPLTFXQBLPKB-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-12(3,4)11(13)10-8-6-7-9(2)14-10/h8-9,11H,5-7,13H2,1-4H3/t9?,11-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine is sourced from PubChem (CID 143076623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).