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

C13H25NO — CID 102649112

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)C(C)C
InChIInChI=1S/C13H25NO/c1-5-14-13(11(4)10(2)3)12-8-6-7-9-15-12/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyKPDAHWKIQPCJPP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.95
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 102649112) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID102649112
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)C(C)C
InChIInChI=1S/C13H25NO/c1-5-14-13(11(4)10(2)3)12-8-6-7-9-15-12/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyKPDAHWKIQPCJPP-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-6-[2-(difluoromethyl)-3-methylbutoxy]-2,3,4,7-tetrahydro-1H-azepine
CID 90702232
5-(Fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 90736308
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)-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
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
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
5-Methoxy-3-propyl-1,2,3,6-tetrahydropyridine
CID 173435638
3-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
CID 55078150
2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
CID 55078152

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 102649112) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNC(C1=CCCCO1)C(C)C(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is KPDAHWKIQPCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14-13(11(4)10(2)3)12-8-6-7-9-15-12/h8,10-11,13-14H,5-7,9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.95, 5 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-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 102649112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).