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

C13H25NO — CID 102647447

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)CC
InChIInChI=1S/C13H25NO/c1-4-9-14-13(11(3)5-2)12-8-6-7-10-15-12/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyCGQZBSBHPZHBEF-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.10
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 102647447) 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)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID102647447
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)CC
InChIInChI=1S/C13H25NO/c1-4-9-14-13(11(3)5-2)12-8-6-7-10-15-12/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyCGQZBSBHPZHBEF-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
CID 102649408
1-(2,3-dihydrofuran-5-yl)-N,2-dimethylbutan-1-amine
CID 102651545
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine (CID 102647447) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(C1=CCCCO1)C(C)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is CGQZBSBHPZHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-9-14-13(11(3)5-2)12-8-6-7-10-15-12/h8,11,13-14H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.10, 6 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)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 102647447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).