3-methoxypropyl(methyl)azanide

C5H12NO- — CID 54708022

IUPAC3-methoxypropyl(methyl)azanide
SMILESC[N-]CCCOC
InChIInChI=1S/C5H12NO/c1-6-4-3-5-7-2/h3-5H2,1-2H3/q-1
InChIKeyRDGSOQPMGBBJFH-UHFFFAOYSA-N
MW102.16 g/mol
LogP1.03
Rot. Bonds4

About 3-methoxypropyl(methyl)azanide

3-methoxypropyl(methyl)azanide (PubChem CID 54708022) has the molecular formula C5H12NO- and a molecular weight of 102.16 g/mol. Its IUPAC name is 3-methoxypropyl(methyl)azanide.

Molecular Properties

Compound Name3-methoxypropyl(methyl)azanide
PubChem CID54708022
Molecular FormulaC5H12NO-
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name3-methoxypropyl(methyl)azanide
SMILESC[N-]CCCOC
InChIInChI=1S/C5H12NO/c1-6-4-3-5-7-2/h3-5H2,1-2H3/q-1
InChIKeyRDGSOQPMGBBJFH-UHFFFAOYSA-N
XLogP1.03
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
1-Isocyano-3-methoxypropane
CID 3902622
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
1-methoxy-N,N-dimethylpropan-1-amine
CID 22062441
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
N-ethyl-N-fluoro-3-methoxypropan-1-amine
CID 154513537
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
Trimethyl-methoxypropanyl-ammonium-bromide
CID 129704811
Methyl-[3-(trifluoromethoxy)propyl]azanide
CID 155624874
N-fluoro-3-methoxy-N-methylpropan-1-amine
CID 178047493
1-(Trimethylazaniumyl)propan-1-olate
CID 10307854
3-Methoxypropyl(trimethyl)azanium
CID 12545982

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl(methyl)azanide?
The IUPAC name of 3-methoxypropyl(methyl)azanide (CID 54708022) is 3-methoxypropyl(methyl)azanide.
What is the SMILES notation for 3-methoxypropyl(methyl)azanide?
The canonical SMILES for 3-methoxypropyl(methyl)azanide is C[N-]CCCOC.
What is the InChIKey of 3-methoxypropyl(methyl)azanide?
The InChIKey is RDGSOQPMGBBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO/c1-6-4-3-5-7-2/h3-5H2,1-2H3/q-1.
What are the key properties of 3-methoxypropyl(methyl)azanide?
3-methoxypropyl(methyl)azanide has a molecular weight of 102.16 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl(methyl)azanide is sourced from PubChem (CID 54708022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).