N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C14H25NO2 — CID 102613516

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CCC=CO2)C1(C)C
InChIInChI=1S/C14H25NO2/c1-4-16-13-9-12(14(13,2)3)15-10-11-7-5-6-8-17-11/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3
InChIKeyIQFLBVFWSMHITR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.47
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 102613516) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID102613516
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CCC=CO2)C1(C)C
InChIInChI=1S/C14H25NO2/c1-4-16-13-9-12(14(13,2)3)15-10-11-7-5-6-8-17-11/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3
InChIKeyIQFLBVFWSMHITR-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)oxan-4-amine
CID 62064380
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 62064601
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpentan-3-amine
CID 62064762
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 62065291
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine
CID 62065966
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine
CID 62066141
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62066733
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxypentan-2-amine
CID 64411494
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-2-amine
CID 64602789
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65047402
N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclohex-3-en-1-amine
CID 65702479
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358195

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 102613516) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC2CCC=CO2)C1(C)C.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is IQFLBVFWSMHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-16-13-9-12(14(13,2)3)15-10-11-7-5-6-8-17-11/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.47, 5 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)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102613516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).