4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine

C14H29NO2 — CID 105147293

IUPAC4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)C1CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-9-15-14(6-5-10-16-4-2)13-7-11-17-12-8-13/h13-15H,3-12H2,1-2H3
InChIKeyPERXDNHJPJVSHV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine

4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine (PubChem CID 105147293) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
PubChem CID105147293
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)C1CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-9-15-14(6-5-10-16-4-2)13-7-11-17-12-8-13/h13-15H,3-12H2,1-2H3
InChIKeyPERXDNHJPJVSHV-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
4-ethoxy-N-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 105153728

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine (CID 105147293) is 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine is CCCNC(CCCOCC)C1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine?
The InChIKey is PERXDNHJPJVSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-9-15-14(6-5-10-16-4-2)13-7-11-17-12-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine?
4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105147293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).