4-methoxy-3-(methoxymethyl)butan-1-amine

C7H17NO2 — CID 130900208

IUPAC4-methoxy-3-(methoxymethyl)butan-1-amine
SMILESCOCC(CCN)COC
InChIInChI=1S/C7H17NO2/c1-9-5-7(3-4-8)6-10-2/h7H,3-6,8H2,1-2H3
InChIKeyLCTRBSDENVTSSH-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.24
Rot. Bonds6

About 4-methoxy-3-(methoxymethyl)butan-1-amine

4-methoxy-3-(methoxymethyl)butan-1-amine (PubChem CID 130900208) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-methoxy-3-(methoxymethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-(methoxymethyl)butan-1-amine
PubChem CID130900208
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-methoxy-3-(methoxymethyl)butan-1-amine
SMILESCOCC(CCN)COC
InChIInChI=1S/C7H17NO2/c1-9-5-7(3-4-8)6-10-2/h7H,3-6,8H2,1-2H3
InChIKeyLCTRBSDENVTSSH-UHFFFAOYSA-N
XLogP0.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-(methoxymethyl)butan-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

3-methoxy-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 154577691
3-bromo-4-methoxybutan-1-amine
CID 106245357
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
6-amino-2-(methoxymethyl)hexan-1-ol;ethane
CID 142287237
1-methoxy-2-(methoxymethyl)butane
CID 23295181
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate
CID 167585419
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
(3R)-3-amino-4-methoxybutan-1-ol
CID 95241115
1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
CID 106153652
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
CID 115022101
2-(methoxymethyl)pentylhydrazine
CID 142078175

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methoxymethyl)butan-1-amine?
The IUPAC name of 4-methoxy-3-(methoxymethyl)butan-1-amine (CID 130900208) is 4-methoxy-3-(methoxymethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-(methoxymethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-(methoxymethyl)butan-1-amine is COCC(CCN)COC.
What is the InChIKey of 4-methoxy-3-(methoxymethyl)butan-1-amine?
The InChIKey is LCTRBSDENVTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-9-5-7(3-4-8)6-10-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-methoxy-3-(methoxymethyl)butan-1-amine?
4-methoxy-3-(methoxymethyl)butan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methoxymethyl)butan-1-amine is sourced from PubChem (CID 130900208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).