cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium

C14H28NO+ — CID 6944187

IUPACcycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium
SMILESCO[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-16-14-11-7-6-10-13(14)15-12-8-4-2-3-5-9-12/h12-15H,2-11H2,1H3/p+1/t13-,14-/m1/s1
InChIKeyJZDQZLOTEYWYNS-ZIAGYGMSSA-O
MW226.38 g/mol
LogP2.23
Rot. Bonds3

About cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium

cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium (PubChem CID 6944187) has the molecular formula C14H28NO+ and a molecular weight of 226.38 g/mol. Its IUPAC name is cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium.

Molecular Properties

Compound Namecycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium
PubChem CID6944187
Molecular FormulaC14H28NO+
Molecular Weight226.38 g/mol
Exact Mass226.22
IUPAC Namecycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium
SMILESCO[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-16-14-11-7-6-10-13(14)15-12-8-4-2-3-5-9-12/h12-15H,2-11H2,1H3/p+1/t13-,14-/m1/s1
InChIKeyJZDQZLOTEYWYNS-ZIAGYGMSSA-O
XLogP2.23
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium?
The IUPAC name of cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium (CID 6944187) is cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium.
What is the SMILES notation for cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium?
The canonical SMILES for cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium is CO[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1.
What is the InChIKey of cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium?
The InChIKey is JZDQZLOTEYWYNS-ZIAGYGMSSA-O. The full InChI is InChI=1S/C14H27NO/c1-16-14-11-7-6-10-13(14)15-12-8-4-2-3-5-9-12/h12-15H,2-11H2,1H3/p+1/t13-,14-/m1/s1.
What are the key properties of cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium?
cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium has a molecular weight of 226.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[(1R,2R)-2-methoxycyclohexyl]azanium is sourced from PubChem (CID 6944187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).