N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine

C13H27NO3 — CID 62565418

IUPACN-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
SMILESCOCCNCCCCOCC1CCCCO1
InChIInChI=1S/C13H27NO3/c1-15-11-8-14-7-3-5-9-16-12-13-6-2-4-10-17-13/h13-14H,2-12H2,1H3
InChIKeyVTWCSJBDBLYGTH-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds10

About N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine

N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine (PubChem CID 62565418) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
PubChem CID62565418
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
SMILESCOCCNCCCCOCC1CCCCO1
InChIInChI=1S/C13H27NO3/c1-15-11-8-14-7-3-5-9-16-12-13-6-2-4-10-17-13/h13-14H,2-12H2,1H3
InChIKeyVTWCSJBDBLYGTH-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
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-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
1-(5-methoxypentyl)-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407502
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine (CID 62565418) is N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine is COCCNCCCCOCC1CCCCO1.
What is the InChIKey of N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine?
The InChIKey is VTWCSJBDBLYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-15-11-8-14-7-3-5-9-16-12-13-6-2-4-10-17-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine?
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine is sourced from PubChem (CID 62565418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).