1-methoxy-N,6-dimethylheptan-4-amine

C10H23NO — CID 62601315

IUPAC1-methoxy-N,6-dimethylheptan-4-amine
SMILESCNC(CCCOC)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)8-10(11-3)6-5-7-12-4/h9-11H,5-8H2,1-4H3
InChIKeyKMVPGBWXTQYKCV-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds7

About 1-methoxy-N,6-dimethylheptan-4-amine

1-methoxy-N,6-dimethylheptan-4-amine (PubChem CID 62601315) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-methoxy-N,6-dimethylheptan-4-amine.

Molecular Properties

Compound Name1-methoxy-N,6-dimethylheptan-4-amine
PubChem CID62601315
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-methoxy-N,6-dimethylheptan-4-amine
SMILESCNC(CCCOC)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)8-10(11-3)6-5-7-12-4/h9-11H,5-8H2,1-4H3
InChIKeyKMVPGBWXTQYKCV-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 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 ≤ 52.05
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

1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1-methoxy-4,8-dimethylnonane
CID 90974533
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
methyl 6-methyl-4-(methylamino)heptanoate
CID 116955487
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,6-dimethylheptan-4-amine?
The IUPAC name of 1-methoxy-N,6-dimethylheptan-4-amine (CID 62601315) is 1-methoxy-N,6-dimethylheptan-4-amine.
What is the SMILES notation for 1-methoxy-N,6-dimethylheptan-4-amine?
The canonical SMILES for 1-methoxy-N,6-dimethylheptan-4-amine is CNC(CCCOC)CC(C)C.
What is the InChIKey of 1-methoxy-N,6-dimethylheptan-4-amine?
The InChIKey is KMVPGBWXTQYKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)8-10(11-3)6-5-7-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-N,6-dimethylheptan-4-amine?
1-methoxy-N,6-dimethylheptan-4-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,6-dimethylheptan-4-amine is sourced from PubChem (CID 62601315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).