8-methoxy-4-methyloctan-3-amine

C10H23NO — CID 104648383

IUPAC8-methoxy-4-methyloctan-3-amine
SMILESCCC(N)C(C)CCCCOC
InChIInChI=1S/C10H23NO/c1-4-10(11)9(2)7-5-6-8-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyVJHBCMQYPVWDRF-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 8-methoxy-4-methyloctan-3-amine

8-methoxy-4-methyloctan-3-amine (PubChem CID 104648383) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 8-methoxy-4-methyloctan-3-amine.

Molecular Properties

Compound Name8-methoxy-4-methyloctan-3-amine
PubChem CID104648383
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name8-methoxy-4-methyloctan-3-amine
SMILESCCC(N)C(C)CCCCOC
InChIInChI=1S/C10H23NO/c1-4-10(11)9(2)7-5-6-8-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyVJHBCMQYPVWDRF-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

Computed Properties (RDKit)

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

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Related Compounds

4-methylundecan-3-amine
CID 63562083
8-methoxy-2-methyloctan-3-amine
CID 64504624
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
4-methyldodec-11-en-3-amine
CID 141026848
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-5-methoxypentan-2-amine
CID 93315322
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
6-methoxy-2-methylhexan-1-amine
CID 64666005
1-methoxy-3-methylhexan-2-amine
CID 105008836
1-methoxyheptan-4-amine
CID 43370439
4-ethyl-1,11-dimethoxyundecane
CID 171750193

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyloctan-3-amine?
The IUPAC name of 8-methoxy-4-methyloctan-3-amine (CID 104648383) is 8-methoxy-4-methyloctan-3-amine.
What is the SMILES notation for 8-methoxy-4-methyloctan-3-amine?
The canonical SMILES for 8-methoxy-4-methyloctan-3-amine is CCC(N)C(C)CCCCOC.
What is the InChIKey of 8-methoxy-4-methyloctan-3-amine?
The InChIKey is VJHBCMQYPVWDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(11)9(2)7-5-6-8-12-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 8-methoxy-4-methyloctan-3-amine?
8-methoxy-4-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 8-methoxy-4-methyloctan-3-amine is sourced from PubChem (CID 104648383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).