1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine

C14H29NO2 — CID 114191056

IUPAC1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
SMILESCCC(COC)NCCCCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-14(12-16-2)15-9-5-4-6-13-7-10-17-11-8-13/h13-15H,3-12H2,1-2H3
InChIKeyOGQVLQHTTXUNSF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine

1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine (PubChem CID 114191056) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
PubChem CID114191056
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
SMILESCCC(COC)NCCCCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-14(12-16-2)15-9-5-4-6-13-7-10-17-11-8-13/h13-15H,3-12H2,1-2H3
InChIKeyOGQVLQHTTXUNSF-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'}

Analyze 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-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-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
CID 81100857
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
CID 114191152
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine (CID 114191056) is 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine is CCC(COC)NCCCCC1CCOCC1.
What is the InChIKey of 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine?
The InChIKey is OGQVLQHTTXUNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-14(12-16-2)15-9-5-4-6-13-7-10-17-11-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine?
1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-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 1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine is sourced from PubChem (CID 114191056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).