1-(cyclohexyloxymethyl)cycloheptan-1-amine

C14H27NO — CID 64548745

IUPAC1-(cyclohexyloxymethyl)cycloheptan-1-amine
SMILESNC1(COC2CCCCC2)CCCCCC1
InChIInChI=1S/C14H27NO/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h13H,1-12,15H2
InChIKeyORVXMRWTFLBLGN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds3

About 1-(cyclohexyloxymethyl)cycloheptan-1-amine

1-(cyclohexyloxymethyl)cycloheptan-1-amine (PubChem CID 64548745) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexyloxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(cyclohexyloxymethyl)cycloheptan-1-amine
PubChem CID64548745
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexyloxymethyl)cycloheptan-1-amine
SMILESNC1(COC2CCCCC2)CCCCCC1
InChIInChI=1S/C14H27NO/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h13H,1-12,15H2
InChIKeyORVXMRWTFLBLGN-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexyloxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(cyclohexyloxymethyl)cycloheptan-1-amine (CID 64548745) is 1-(cyclohexyloxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(cyclohexyloxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(cyclohexyloxymethyl)cycloheptan-1-amine is NC1(COC2CCCCC2)CCCCCC1.
What is the InChIKey of 1-(cyclohexyloxymethyl)cycloheptan-1-amine?
The InChIKey is ORVXMRWTFLBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h13H,1-12,15H2.
What are the key properties of 1-(cyclohexyloxymethyl)cycloheptan-1-amine?
1-(cyclohexyloxymethyl)cycloheptan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyloxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64548745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).