1-methoxy-5-methyloctan-3-amine

C10H23NO — CID 62603331

IUPAC1-methoxy-5-methyloctan-3-amine
SMILESCCCC(C)CC(N)CCOC
InChIInChI=1S/C10H23NO/c1-4-5-9(2)8-10(11)6-7-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyPOBVLEVSUKCDRT-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 1-methoxy-5-methyloctan-3-amine

1-methoxy-5-methyloctan-3-amine (PubChem CID 62603331) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-methoxy-5-methyloctan-3-amine.

Molecular Properties

Compound Name1-methoxy-5-methyloctan-3-amine
PubChem CID62603331
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-methoxy-5-methyloctan-3-amine
SMILESCCCC(C)CC(N)CCOC
InChIInChI=1S/C10H23NO/c1-4-5-9(2)8-10(11)6-7-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyPOBVLEVSUKCDRT-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-5-methyloctan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyloctan-3-amine?
The IUPAC name of 1-methoxy-5-methyloctan-3-amine (CID 62603331) is 1-methoxy-5-methyloctan-3-amine.
What is the SMILES notation for 1-methoxy-5-methyloctan-3-amine?
The canonical SMILES for 1-methoxy-5-methyloctan-3-amine is CCCC(C)CC(N)CCOC.
What is the InChIKey of 1-methoxy-5-methyloctan-3-amine?
The InChIKey is POBVLEVSUKCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-9(2)8-10(11)6-7-12-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-methoxy-5-methyloctan-3-amine?
1-methoxy-5-methyloctan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyloctan-3-amine is sourced from PubChem (CID 62603331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).