N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine

C11H21NO2 — CID 64602789

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-10(6-8-13-2)12-9-11-5-3-4-7-14-11/h4,7,10-12H,3,5-6,8-9H2,1-2H3
InChIKeyLURODRXRWWASFT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine (PubChem CID 64602789) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine
PubChem CID64602789
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-10(6-8-13-2)12-9-11-5-3-4-7-14-11/h4,7,10-12H,3,5-6,8-9H2,1-2H3
InChIKeyLURODRXRWWASFT-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-Dihydro-2H-pyran-2-ylmethyl)-methyl-amine
CID 60136051
1-(3,4-dihydro-2H-pyran-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297095
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095580
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115516417
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115517329
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-methylmethanamine
CID 55299898
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
N-(2-methoxypropyl)hept-1-en-4-amine
CID 123235191
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
CID 143819446

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine (CID 64602789) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine is COCCC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine?
The InChIKey is LURODRXRWWASFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(6-8-13-2)12-9-11-5-3-4-7-14-11/h4,7,10-12H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 64602789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).