1-methoxy-7-methyloctan-4-amine

C10H23NO — CID 62603924

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

About 1-methoxy-7-methyloctan-4-amine

1-methoxy-7-methyloctan-4-amine (PubChem CID 62603924) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-methoxy-7-methyloctan-4-amine.

Molecular Properties

Compound Name1-methoxy-7-methyloctan-4-amine
PubChem CID62603924
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-methoxy-7-methyloctan-4-amine
SMILESCOCCCC(N)CCC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)6-7-10(11)5-4-8-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyDBAFCKSUTRWAHL-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'}

Analyze 1-methoxy-7-methyloctan-4-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-methoxyheptan-4-amine
CID 43370439
2,8-dimethylnonan-5-amine
CID 15030000
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
(2S)-5-methoxypentan-2-amine
CID 93315322
1-methoxy-6-methylheptan-2-amine
CID 62320003
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81102660
1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 81100919
2,34-dimethylpentatriacontan-18-amine
CID 141007495
1-methoxy-4,8-dimethylnonane
CID 90974533
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
(5-amino-8-methoxyoctyl)boronic acid
CID 88577036

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-methyloctan-4-amine?
The IUPAC name of 1-methoxy-7-methyloctan-4-amine (CID 62603924) is 1-methoxy-7-methyloctan-4-amine.
What is the SMILES notation for 1-methoxy-7-methyloctan-4-amine?
The canonical SMILES for 1-methoxy-7-methyloctan-4-amine is COCCCC(N)CCC(C)C.
What is the InChIKey of 1-methoxy-7-methyloctan-4-amine?
The InChIKey is DBAFCKSUTRWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)6-7-10(11)5-4-8-12-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-methoxy-7-methyloctan-4-amine?
1-methoxy-7-methyloctan-4-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-7-methyloctan-4-amine is sourced from PubChem (CID 62603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).