cycloheptanamine;ethanol

C11H27NO2 — CID 158239152

IUPACcycloheptanamine;ethanol
SMILESCCO.CCO.NC1CCCCCC1
InChIInChI=1S/C7H15N.2C2H6O/c8-7-5-3-1-2-4-6-7;2*1-2-3/h7H,1-6,8H2;2*3H,2H2,1H3
InChIKeyGFIHTAJOKWMBNV-UHFFFAOYSA-N
MW205.34 g/mol
LogP1.67
Rot. Bonds

About cycloheptanamine;ethanol

cycloheptanamine;ethanol (PubChem CID 158239152) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is cycloheptanamine;ethanol.

Molecular Properties

Compound Namecycloheptanamine;ethanol
PubChem CID158239152
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Namecycloheptanamine;ethanol
SMILESCCO.CCO.NC1CCCCCC1
InChIInChI=1S/C7H15N.2C2H6O/c8-7-5-3-1-2-4-6-7;2*1-2-3/h7H,1-6,8H2;2*3H,2H2,1H3
InChIKeyGFIHTAJOKWMBNV-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanamine;ethanol
CID 19708104
Ethanol;heptan-1-amine
CID 23342131
Cyclooctanamine;ethanol
CID 23342132
Cyclononanamine;ethanol
CID 23342144
Cycloheptanamine;ethanol
CID 23342192
Cycloheptanamine;methanol
CID 67316174
ethanol;N-methylcycloheptanamine
CID 67980101
Ethanol;heptane;propan-2-amine
CID 87057720
Ethanol;hexane-1,4-diamine;hydrate
CID 88759669
Ethanol;hexan-3-amine
CID 91562717
Cyclohexanamine;ethanol;molecular hydrogen
CID 143818374
Cyclopentanamine;ethanol
CID 158775585

Frequently Asked Questions

What is the IUPAC name of cycloheptanamine;ethanol?
The IUPAC name of cycloheptanamine;ethanol (CID 158239152) is cycloheptanamine;ethanol.
What is the SMILES notation for cycloheptanamine;ethanol?
The canonical SMILES for cycloheptanamine;ethanol is CCO.CCO.NC1CCCCCC1.
What is the InChIKey of cycloheptanamine;ethanol?
The InChIKey is GFIHTAJOKWMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C2H6O/c8-7-5-3-1-2-4-6-7;2*1-2-3/h7H,1-6,8H2;2*3H,2H2,1H3.
What are the key properties of cycloheptanamine;ethanol?
cycloheptanamine;ethanol has a molecular weight of 205.34 g/mol, XLogP of 1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanamine;ethanol is sourced from PubChem (CID 158239152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).