N-methoxy-N-methylazepan-4-amine

C8H18N2O — CID 84650806

IUPACN-methoxy-N-methylazepan-4-amine
SMILESCON(C)C1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-10(11-2)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyZGIIATCTMIFWNT-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.62
Rot. Bonds2

About N-methoxy-N-methylazepan-4-amine

N-methoxy-N-methylazepan-4-amine (PubChem CID 84650806) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-methoxy-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-methoxy-N-methylazepan-4-amine
PubChem CID84650806
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-methoxy-N-methylazepan-4-amine
SMILESCON(C)C1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-10(11-2)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyZGIIATCTMIFWNT-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813
N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N-ethyl-N-methoxypiperidin-4-amine
CID 126511750
N-(azocan-5-yl)-N-methylformamide
CID 143070337
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylazepan-4-amine?
The IUPAC name of N-methoxy-N-methylazepan-4-amine (CID 84650806) is N-methoxy-N-methylazepan-4-amine.
What is the SMILES notation for N-methoxy-N-methylazepan-4-amine?
The canonical SMILES for N-methoxy-N-methylazepan-4-amine is CON(C)C1CCCNCC1.
What is the InChIKey of N-methoxy-N-methylazepan-4-amine?
The InChIKey is ZGIIATCTMIFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(11-2)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methoxy-N-methylazepan-4-amine?
N-methoxy-N-methylazepan-4-amine has a molecular weight of 158.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylazepan-4-amine is sourced from PubChem (CID 84650806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).