1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C14H27NO2 — CID 116758369

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=COCCC1)C(C)(CC)OC
InChIInChI=1S/C14H27NO2/c1-5-9-15-13(14(3,6-2)16-4)12-8-7-10-17-11-12/h11,13,15H,5-10H2,1-4H3
InChIKeyKHMFSTZXBZJZOH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116758369) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116758369
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=COCCC1)C(C)(CC)OC
InChIInChI=1S/C14H27NO2/c1-5-9-15-13(14(3,6-2)16-4)12-8-7-10-17-11-12/h11,13,15H,5-10H2,1-4H3
InChIKeyKHMFSTZXBZJZOH-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 80173952
N-ethyl-2-methyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174410
N-ethyl-3-methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174421
2-methyl-1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174715
N-ethyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174906
N-methyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80175079
3-methyl-1-(2-methyloxolan-2-yl)-N-propylbut-3-en-1-amine
CID 80175109
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]ethanamine
CID 80182302
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 80182385
2-methyl-1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
CID 80684631
N-ethyl-2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80685533
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 116758369) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C1=COCCC1)C(C)(CC)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is KHMFSTZXBZJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-9-15-13(14(3,6-2)16-4)12-8-7-10-17-11-12/h11,13,15H,5-10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.86, 7 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-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116758369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).