(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde

C9H17NO2 — CID 168758856

IUPAC(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde
SMILESCOC1CCC([C@@H](N)C=O)CC1
InChIInChI=1S/C9H17NO2/c1-12-8-4-2-7(3-5-8)9(10)6-11/h6-9H,2-5,10H2,1H3/t7?,8?,9-/m0/s1
InChIKeyLWHRHZHODXXWDF-HACHORDNSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds3

About (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde

(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde (PubChem CID 168758856) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde
PubChem CID168758856
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde
SMILESCOC1CCC([C@@H](N)C=O)CC1
InChIInChI=1S/C9H17NO2/c1-12-8-4-2-7(3-5-8)9(10)6-11/h6-9H,2-5,10H2,1H3/t7?,8?,9-/m0/s1
InChIKeyLWHRHZHODXXWDF-HACHORDNSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde?
The IUPAC name of (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde (CID 168758856) is (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde.
What is the SMILES notation for (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde?
The canonical SMILES for (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde is COC1CCC([C@@H](N)C=O)CC1.
What is the InChIKey of (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde?
The InChIKey is LWHRHZHODXXWDF-HACHORDNSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-8-4-2-7(3-5-8)9(10)6-11/h6-9H,2-5,10H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde?
(2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde has a molecular weight of 171.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-methoxycyclohexyl)acetaldehyde is sourced from PubChem (CID 168758856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).