N-methoxy-N-methylhexan-1-amine

C8H19NO — CID 54431715

IUPACN-methoxy-N-methylhexan-1-amine
SMILESCCCCCCN(C)OC
InChIInChI=1S/C8H19NO/c1-4-5-6-7-8-9(2)10-3/h4-8H2,1-3H3
InChIKeyWHXWUQRGKTWHBN-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.06
Rot. Bonds6

About N-methoxy-N-methylhexan-1-amine

N-methoxy-N-methylhexan-1-amine (PubChem CID 54431715) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-methoxy-N-methylhexan-1-amine.

Molecular Properties

Compound NameN-methoxy-N-methylhexan-1-amine
PubChem CID54431715
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-methoxy-N-methylhexan-1-amine
SMILESCCCCCCN(C)OC
InChIInChI=1S/C8H19NO/c1-4-5-6-7-8-9(2)10-3/h4-8H2,1-3H3
InChIKeyWHXWUQRGKTWHBN-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[heptadecyl(methyl)amino]oxy-N-methylheptadecan-1-amine
CID 141068363
N-ethoxy-N-methyloctan-1-amine;hydrochloride
CID 174762687
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N-dodecyl-N-(methoxymethyl)dodecan-1-amine;uranium
CID 172566613
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N,N-dimethylnonadecan-1-amine
CID 546994
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N-dimethyloctan-1-amine
CID 161279104
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylhexan-1-amine?
The IUPAC name of N-methoxy-N-methylhexan-1-amine (CID 54431715) is N-methoxy-N-methylhexan-1-amine.
What is the SMILES notation for N-methoxy-N-methylhexan-1-amine?
The canonical SMILES for N-methoxy-N-methylhexan-1-amine is CCCCCCN(C)OC.
What is the InChIKey of N-methoxy-N-methylhexan-1-amine?
The InChIKey is WHXWUQRGKTWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-6-7-8-9(2)10-3/h4-8H2,1-3H3.
What are the key properties of N-methoxy-N-methylhexan-1-amine?
N-methoxy-N-methylhexan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylhexan-1-amine is sourced from PubChem (CID 54431715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).