7-methyl-1-(7-methyloctoxy)octan-1-amine

C18H39NO — CID 57276593

IUPAC7-methyl-1-(7-methyloctoxy)octan-1-amine
SMILESCC(C)CCCCCCOC(N)CCCCCC(C)C
InChIInChI=1S/C18H39NO/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-18H,5-15,19H2,1-4H3
InChIKeyFVVOCRVAVFOVPY-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.50
Rot. Bonds14

About 7-methyl-1-(7-methyloctoxy)octan-1-amine

7-methyl-1-(7-methyloctoxy)octan-1-amine (PubChem CID 57276593) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 7-methyl-1-(7-methyloctoxy)octan-1-amine.

Molecular Properties

Compound Name7-methyl-1-(7-methyloctoxy)octan-1-amine
PubChem CID57276593
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name7-methyl-1-(7-methyloctoxy)octan-1-amine
SMILESCC(C)CCCCCCOC(N)CCCCCC(C)C
InChIInChI=1S/C18H39NO/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-18H,5-15,19H2,1-4H3
InChIKeyFVVOCRVAVFOVPY-UHFFFAOYSA-N
XLogP5.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(7-methyloctoxy)octan-1-amine?
The IUPAC name of 7-methyl-1-(7-methyloctoxy)octan-1-amine (CID 57276593) is 7-methyl-1-(7-methyloctoxy)octan-1-amine.
What is the SMILES notation for 7-methyl-1-(7-methyloctoxy)octan-1-amine?
The canonical SMILES for 7-methyl-1-(7-methyloctoxy)octan-1-amine is CC(C)CCCCCCOC(N)CCCCCC(C)C.
What is the InChIKey of 7-methyl-1-(7-methyloctoxy)octan-1-amine?
The InChIKey is FVVOCRVAVFOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-18H,5-15,19H2,1-4H3.
What are the key properties of 7-methyl-1-(7-methyloctoxy)octan-1-amine?
7-methyl-1-(7-methyloctoxy)octan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.50, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(7-methyloctoxy)octan-1-amine is sourced from PubChem (CID 57276593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).