2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine

C14H29NO3 — CID 113463679

IUPAC2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine
SMILESCCC1CC(NCCCCOCCOC)CCO1
InChIInChI=1S/C14H29NO3/c1-3-14-12-13(6-9-18-14)15-7-4-5-8-17-11-10-16-2/h13-15H,3-12H2,1-2H3
InChIKeyCUAOOZATLBISCN-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.98
Rot. Bonds10

About 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine

2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine (PubChem CID 113463679) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine
PubChem CID113463679
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine
SMILESCCC1CC(NCCCCOCCOC)CCO1
InChIInChI=1S/C14H29NO3/c1-3-14-12-13(6-9-18-14)15-7-4-5-8-17-11-10-16-2/h13-15H,3-12H2,1-2H3
InChIKeyCUAOOZATLBISCN-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
2-methyl-N-(3-propoxypropyl)oxan-4-amine
CID 82942441
2-ethyl-N-pent-3-ynyloxan-4-amine
CID 116642789
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106127626
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine (CID 113463679) is 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine is CCC1CC(NCCCCOCCOC)CCO1.
What is the InChIKey of 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine?
The InChIKey is CUAOOZATLBISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-14-12-13(6-9-18-14)15-7-4-5-8-17-11-10-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine?
2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine has a molecular weight of 259.39 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(2-methoxyethoxy)butyl]oxan-4-amine is sourced from PubChem (CID 113463679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).