(2-cyclohexyloxycyclohexyl)methanamine

C13H25NO — CID 43428717

IUPAC(2-cyclohexyloxycyclohexyl)methanamine
SMILESNCC1CCCCC1OC1CCCCC1
InChIInChI=1S/C13H25NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13H,1-10,14H2
InChIKeyVVGREDJVRCEHEY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds3

About (2-cyclohexyloxycyclohexyl)methanamine

(2-cyclohexyloxycyclohexyl)methanamine (PubChem CID 43428717) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2-cyclohexyloxycyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyloxycyclohexyl)methanamine
PubChem CID43428717
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2-cyclohexyloxycyclohexyl)methanamine
SMILESNCC1CCCCC1OC1CCCCC1
InChIInChI=1S/C13H25NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13H,1-10,14H2
InChIKeyVVGREDJVRCEHEY-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxycyclohexyl)methanamine?
The IUPAC name of (2-cyclohexyloxycyclohexyl)methanamine (CID 43428717) is (2-cyclohexyloxycyclohexyl)methanamine.
What is the SMILES notation for (2-cyclohexyloxycyclohexyl)methanamine?
The canonical SMILES for (2-cyclohexyloxycyclohexyl)methanamine is NCC1CCCCC1OC1CCCCC1.
What is the InChIKey of (2-cyclohexyloxycyclohexyl)methanamine?
The InChIKey is VVGREDJVRCEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13H,1-10,14H2.
What are the key properties of (2-cyclohexyloxycyclohexyl)methanamine?
(2-cyclohexyloxycyclohexyl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxycyclohexyl)methanamine is sourced from PubChem (CID 43428717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).