2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol

C12H23NO2 — CID 62517158

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-14)13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyQJPUZZLLZCQXLU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.82
Rot. Bonds6

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol (PubChem CID 62517158) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol
PubChem CID62517158
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-14)13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyQJPUZZLLZCQXLU-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
CID 62064712
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethanol
CID 62064714
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
CID 62064759
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-2-amine
CID 62064869
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine
CID 62064943
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
CID 62065111
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylbutan-2-amine
CID 62065417
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine
CID 62065419
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62065431
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentan-1-ol
CID 62065819
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol
CID 62065962

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol (CID 62517158) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol is CCC(CC)(CO)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol?
The InChIKey is QJPUZZLLZCQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(4-2,10-14)13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 62517158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).