ethane;1-ethyl-2-methylazepane

C11H25N — CID 145020951

IUPACethane;1-ethyl-2-methylazepane
SMILESCC.CCN1CCCCCC1C
InChIInChI=1S/C9H19N.C2H6/c1-3-10-8-6-4-5-7-9(10)2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyUDIXINFWFJRJII-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.30
Rot. Bonds1

About ethane;1-ethyl-2-methylazepane

ethane;1-ethyl-2-methylazepane (PubChem CID 145020951) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;1-ethyl-2-methylazepane.

Molecular Properties

Compound Nameethane;1-ethyl-2-methylazepane
PubChem CID145020951
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;1-ethyl-2-methylazepane
SMILESCC.CCN1CCCCCC1C
InChIInChI=1S/C9H19N.C2H6/c1-3-10-8-6-4-5-7-9(10)2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyUDIXINFWFJRJII-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
2-methyl-1-pentylazepane
CID 134994557
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
(2-methylpiperidin-1-yl)methanol
CID 67262865
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
1-[2-(bromomethyl)-2-ethylbutyl]-2-methylazepane
CID 65003407
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
1-ethylpiperidine-2-thiol
CID 88741057
1,2-diethylpiperidine
CID 19604037

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methylazepane?
The IUPAC name of ethane;1-ethyl-2-methylazepane (CID 145020951) is ethane;1-ethyl-2-methylazepane.
What is the SMILES notation for ethane;1-ethyl-2-methylazepane?
The canonical SMILES for ethane;1-ethyl-2-methylazepane is CC.CCN1CCCCCC1C.
What is the InChIKey of ethane;1-ethyl-2-methylazepane?
The InChIKey is UDIXINFWFJRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-3-10-8-6-4-5-7-9(10)2;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methylazepane?
ethane;1-ethyl-2-methylazepane has a molecular weight of 171.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methylazepane is sourced from PubChem (CID 145020951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).