acetic acid;N-cyclohexylcyclohexanamine

C14H27NO2 — CID 70169250

IUPACacetic acid;N-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1.CC(=O)O
InChIInChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNDZUIBYQGLEFIJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.33
Rot. Bonds2

About acetic acid;N-cyclohexylcyclohexanamine

acetic acid;N-cyclohexylcyclohexanamine (PubChem CID 70169250) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is acetic acid;N-cyclohexylcyclohexanamine.

Molecular Properties

Compound Nameacetic acid;N-cyclohexylcyclohexanamine
PubChem CID70169250
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameacetic acid;N-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1.CC(=O)O
InChIInChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNDZUIBYQGLEFIJ-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylaminopropionic acid
CID 33631
Dicyclohexylammonium acetate
CID 26619
1,4-Cyclohexanediamine, N,N'-dicyclohexyl-, diacetate
CID 116169
Dihexylamine acetate
CID 16218764
Cyclohexyl(dimethyl)azanium acetate
CID 57376524
Methylcyclohexylamine carbonate
CID 67771503
Dicyclo-hexylammonium hydrogen oxalate
CID 129701620
Dicyclohexylamine bicarbonate
CID 12221448
Dicyclohexylammonium 2,2,2-trifluoroacetate
CID 42884663
N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 46832469
N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174749910
N-butylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174841593

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-cyclohexylcyclohexanamine?
The IUPAC name of acetic acid;N-cyclohexylcyclohexanamine (CID 70169250) is acetic acid;N-cyclohexylcyclohexanamine.
What is the SMILES notation for acetic acid;N-cyclohexylcyclohexanamine?
The canonical SMILES for acetic acid;N-cyclohexylcyclohexanamine is C1CCC(NC2CCCCC2)CC1.CC(=O)O.
What is the InChIKey of acetic acid;N-cyclohexylcyclohexanamine?
The InChIKey is NDZUIBYQGLEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4).
What are the key properties of acetic acid;N-cyclohexylcyclohexanamine?
acetic acid;N-cyclohexylcyclohexanamine has a molecular weight of 241.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-cyclohexylcyclohexanamine is sourced from PubChem (CID 70169250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).