1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine

C13H27NO2 — CID 116765698

IUPAC1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-4-6-7-12(14-3)13(16-5-2)8-10-15-11-9-13/h12,14H,4-11H2,1-3H3
InChIKeyDOFOJKICFKIRGV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine

1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine (PubChem CID 116765698) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
PubChem CID116765698
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-4-6-7-12(14-3)13(16-5-2)8-10-15-11-9-13/h12,14H,4-11H2,1-3H3
InChIKeyDOFOJKICFKIRGV-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
CID 107009741
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
[1-(4-ethoxyoxan-4-yl)-3-methylhexyl]hydrazine
CID 105276851
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine (CID 116765698) is 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine is CCCCC(NC)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine?
The InChIKey is DOFOJKICFKIRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-7-12(14-3)13(16-5-2)8-10-15-11-9-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine?
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 116765698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).