methoxymethane;1-propan-2-ylazepane

C11H25NO — CID 178173420

IUPACmethoxymethane;1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1.COC
InChIInChI=1S/C9H19N.C2H6O/c1-9(2)10-7-5-3-4-6-8-10;1-3-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyNRDXKMPAEQQZIV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds1

About methoxymethane;1-propan-2-ylazepane

methoxymethane;1-propan-2-ylazepane (PubChem CID 178173420) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is methoxymethane;1-propan-2-ylazepane.

Molecular Properties

Compound Namemethoxymethane;1-propan-2-ylazepane
PubChem CID178173420
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Namemethoxymethane;1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1.COC
InChIInChI=1S/C9H19N.C2H6O/c1-9(2)10-7-5-3-4-6-8-10;1-3-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyNRDXKMPAEQQZIV-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
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1-propan-2-ylpiperidine;hydrobromide
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ethene;1-propan-2-ylpiperidine
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ethane;1-propan-2-ylpyrrolidine
CID 167557798
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1-propan-2-ylazepane;1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 176703713

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-propan-2-ylazepane?
The IUPAC name of methoxymethane;1-propan-2-ylazepane (CID 178173420) is methoxymethane;1-propan-2-ylazepane.
What is the SMILES notation for methoxymethane;1-propan-2-ylazepane?
The canonical SMILES for methoxymethane;1-propan-2-ylazepane is CC(C)N1CCCCCC1.COC.
What is the InChIKey of methoxymethane;1-propan-2-ylazepane?
The InChIKey is NRDXKMPAEQQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6O/c1-9(2)10-7-5-3-4-6-8-10;1-3-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;1-propan-2-ylazepane?
methoxymethane;1-propan-2-ylazepane has a molecular weight of 187.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-propan-2-ylazepane is sourced from PubChem (CID 178173420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).