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

C15H31NO2 — CID 116765630

IUPAC1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-4-6-7-8-9-14(16-3)15(18-5-2)10-12-17-13-11-15/h14,16H,4-13H2,1-3H3
InChIKeyGVETYFVVLABZSA-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds9

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

1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine (PubChem CID 116765630) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
PubChem CID116765630
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-4-6-7-8-9-14(16-3)15(18-5-2)10-12-17-13-11-15/h14,16H,4-13H2,1-3H3
InChIKeyGVETYFVVLABZSA-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyoxan-4-yl)-N-methylheptan-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-methylpentan-1-amine
CID 116765698
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
CID 107009741
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine (CID 116765630) is 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine is CCCCCCC(NC)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine?
The InChIKey is GVETYFVVLABZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-6-7-8-9-14(16-3)15(18-5-2)10-12-17-13-11-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine?
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 9 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-methylheptan-1-amine is sourced from PubChem (CID 116765630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).