ethane;4-(ethoxymethyl)-4-methylazepane

C12H27NO — CID 142994116

IUPACethane;4-(ethoxymethyl)-4-methylazepane
SMILESCC.CCOCC1(C)CCCNCC1
InChIInChI=1S/C10H21NO.C2H6/c1-3-12-9-10(2)5-4-7-11-8-6-10;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyHOOZCURDLJGHHQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds3

About ethane;4-(ethoxymethyl)-4-methylazepane

ethane;4-(ethoxymethyl)-4-methylazepane (PubChem CID 142994116) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;4-(ethoxymethyl)-4-methylazepane.

Molecular Properties

Compound Nameethane;4-(ethoxymethyl)-4-methylazepane
PubChem CID142994116
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;4-(ethoxymethyl)-4-methylazepane
SMILESCC.CCOCC1(C)CCCNCC1
InChIInChI=1S/C10H21NO.C2H6/c1-3-12-9-10(2)5-4-7-11-8-6-10;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyHOOZCURDLJGHHQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-methylazepane
CID 55299291
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
(4-methylpiperidin-4-yl)methanol
CID 22507737
5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 70370662
ethane;propane;pyrrolidine
CID 91102166
5,5,8,8-tetramethyl-azacycloundecane
CID 154959364
(4-aminopiperidin-4-yl)methanol;ethoxyethane
CID 66797451
ethane;4-methyl-4-propan-2-ylazepane
CID 164876609
(3-methylpiperidin-3-yl)methanol
CID 19594566
ethane;2-(4-methylpiperidin-4-yl)acetonitrile
CID 144903240
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182

Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethoxymethyl)-4-methylazepane?
The IUPAC name of ethane;4-(ethoxymethyl)-4-methylazepane (CID 142994116) is ethane;4-(ethoxymethyl)-4-methylazepane.
What is the SMILES notation for ethane;4-(ethoxymethyl)-4-methylazepane?
The canonical SMILES for ethane;4-(ethoxymethyl)-4-methylazepane is CC.CCOCC1(C)CCCNCC1.
What is the InChIKey of ethane;4-(ethoxymethyl)-4-methylazepane?
The InChIKey is HOOZCURDLJGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-3-12-9-10(2)5-4-7-11-8-6-10;1-2/h11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(ethoxymethyl)-4-methylazepane?
ethane;4-(ethoxymethyl)-4-methylazepane has a molecular weight of 201.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethoxymethyl)-4-methylazepane is sourced from PubChem (CID 142994116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).