1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine

C11H21NO — CID 102647186

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyXBJOBXYSVDLFCK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.31
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine (PubChem CID 102647186) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
PubChem CID102647186
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyXBJOBXYSVDLFCK-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
(2R,3R)-2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 60076848
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
(3R)-6-[(cyclopropylmethylamino)methyl]-3,4-dihydro-2H-pyran-3-amine
CID 126745342
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine (CID 102647186) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is XBJOBXYSVDLFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 102647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).