N-chloro-2,2-dimethoxycyclohexan-1-amine

C8H16ClNO2 — CID 23539850

IUPACN-chloro-2,2-dimethoxycyclohexan-1-amine
SMILESCOC1(OC)CCCCC1NCl
InChIInChI=1S/C8H16ClNO2/c1-11-8(12-2)6-4-3-5-7(8)10-9/h7,10H,3-6H2,1-2H3
InChIKeyDAGKFKUDEYNUTA-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.66
Rot. Bonds3

About N-chloro-2,2-dimethoxycyclohexan-1-amine

N-chloro-2,2-dimethoxycyclohexan-1-amine (PubChem CID 23539850) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is N-chloro-2,2-dimethoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-chloro-2,2-dimethoxycyclohexan-1-amine
PubChem CID23539850
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC NameN-chloro-2,2-dimethoxycyclohexan-1-amine
SMILESCOC1(OC)CCCCC1NCl
InChIInChI=1S/C8H16ClNO2/c1-11-8(12-2)6-4-3-5-7(8)10-9/h7,10H,3-6H2,1-2H3
InChIKeyDAGKFKUDEYNUTA-UHFFFAOYSA-N
XLogP1.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2,2-dimethoxycyclohexan-1-amine?
The IUPAC name of N-chloro-2,2-dimethoxycyclohexan-1-amine (CID 23539850) is N-chloro-2,2-dimethoxycyclohexan-1-amine.
What is the SMILES notation for N-chloro-2,2-dimethoxycyclohexan-1-amine?
The canonical SMILES for N-chloro-2,2-dimethoxycyclohexan-1-amine is COC1(OC)CCCCC1NCl.
What is the InChIKey of N-chloro-2,2-dimethoxycyclohexan-1-amine?
The InChIKey is DAGKFKUDEYNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-11-8(12-2)6-4-3-5-7(8)10-9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-chloro-2,2-dimethoxycyclohexan-1-amine?
N-chloro-2,2-dimethoxycyclohexan-1-amine has a molecular weight of 193.67 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2,2-dimethoxycyclohexan-1-amine is sourced from PubChem (CID 23539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).