1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine

C13H27NO2 — CID 116765183

IUPAC1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(C(C)C)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-5-8-14-12(11(2)3)13(15-4)6-9-16-10-7-13/h11-12,14H,5-10H2,1-4H3
InChIKeyAWVRSCKTBGFYCA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds6

About 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine

1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 116765183) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID116765183
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(C(C)C)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-5-8-14-12(11(2)3)13(15-4)6-9-16-10-7-13/h11-12,14H,5-10H2,1-4H3
InChIKeyAWVRSCKTBGFYCA-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
1-(1-methoxycyclobutyl)-2-methyl-N-propylbutan-1-amine
CID 116714936
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
CID 116764745
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
CID 116769710
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
CID 116753892
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine (CID 116765183) is 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine is CCCNC(C(C)C)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is AWVRSCKTBGFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-8-14-12(11(2)3)13(15-4)6-9-16-10-7-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine?
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 116765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).