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

C16H30N2O — CID 102647727

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(NC)C1=CCCCO1)N1CCCC1
InChIInChI=1S/C16H30N2O/c1-4-16(5-2,18-11-7-8-12-18)15(17-3)14-10-6-9-13-19-14/h10,15,17H,4-9,11-13H2,1-3H3
InChIKeyJOKXDRRVQFBVIF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.92
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 102647727) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID102647727
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(NC)C1=CCCCO1)N1CCCC1
InChIInChI=1S/C16H30N2O/c1-4-16(5-2,18-11-7-8-12-18)15(17-3)14-10-6-9-13-19-14/h10,15,17H,4-9,11-13H2,1-3H3
InChIKeyJOKXDRRVQFBVIF-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 102650042
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 102647687
1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057362
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79067835
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 102648088
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-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 102654218
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 102647727) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(CC)(C(NC)C1=CCCCO1)N1CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is JOKXDRRVQFBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-16(5-2,18-11-7-8-12-18)15(17-3)14-10-6-9-13-19-14/h10,15,17H,4-9,11-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 102647727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).