ethane;[2-(ethylamino)cyclohepten-1-yl]methanol

C12H25NO — CID 143063219

IUPACethane;[2-(ethylamino)cyclohepten-1-yl]methanol
SMILESCC.CCNC1=C(CO)CCCCC1
InChIInChI=1S/C10H19NO.C2H6/c1-2-11-10-7-5-3-4-6-9(10)8-12;1-2/h11-12H,2-8H2,1H3;1-2H3
InChIKeyMVTNKGMYYFQZOY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.83
Rot. Bonds3

About ethane;[2-(ethylamino)cyclohepten-1-yl]methanol

ethane;[2-(ethylamino)cyclohepten-1-yl]methanol (PubChem CID 143063219) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;[2-(ethylamino)cyclohepten-1-yl]methanol.

Molecular Properties

Compound Nameethane;[2-(ethylamino)cyclohepten-1-yl]methanol
PubChem CID143063219
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;[2-(ethylamino)cyclohepten-1-yl]methanol
SMILESCC.CCNC1=C(CO)CCCCC1
InChIInChI=1S/C10H19NO.C2H6/c1-2-11-10-7-5-3-4-6-9(10)8-12;1-2/h11-12H,2-8H2,1H3;1-2H3
InChIKeyMVTNKGMYYFQZOY-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
9-(1-Cyclobutylideneethylamino)nonan-1-ol
CID 174195445
1-(Cyclohepten-1-yl)-2-(ethylamino)ethanol
CID 106654883
1-(Cyclohepten-1-yl)-2-(propylamino)ethanol
CID 106654886
1-(Cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol
CID 106654889
2-(Tert-butylamino)-1-(cyclohepten-1-yl)ethanol
CID 106654895
[2-(Ethylamino)cyclohepten-1-yl]methanol
CID 143063220

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(ethylamino)cyclohepten-1-yl]methanol?
The IUPAC name of ethane;[2-(ethylamino)cyclohepten-1-yl]methanol (CID 143063219) is ethane;[2-(ethylamino)cyclohepten-1-yl]methanol.
What is the SMILES notation for ethane;[2-(ethylamino)cyclohepten-1-yl]methanol?
The canonical SMILES for ethane;[2-(ethylamino)cyclohepten-1-yl]methanol is CC.CCNC1=C(CO)CCCCC1.
What is the InChIKey of ethane;[2-(ethylamino)cyclohepten-1-yl]methanol?
The InChIKey is MVTNKGMYYFQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-2-11-10-7-5-3-4-6-9(10)8-12;1-2/h11-12H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;[2-(ethylamino)cyclohepten-1-yl]methanol?
ethane;[2-(ethylamino)cyclohepten-1-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(ethylamino)cyclohepten-1-yl]methanol is sourced from PubChem (CID 143063219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).