N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine

C10H20ClNO2 — CID 141068378

IUPACN-chloro-2-cyclohexyl-2,2-dimethoxyethanamine
SMILESCOC(CNCl)(OC)C1CCCCC1
InChIInChI=1S/C10H20ClNO2/c1-13-10(14-2,8-12-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3
InChIKeyFTNHOOCUDRKWPX-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.30
Rot. Bonds5

About N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine

N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine (PubChem CID 141068378) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-chloro-2-cyclohexyl-2,2-dimethoxyethanamine
PubChem CID141068378
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-chloro-2-cyclohexyl-2,2-dimethoxyethanamine
SMILESCOC(CNCl)(OC)C1CCCCC1
InChIInChI=1S/C10H20ClNO2/c1-13-10(14-2,8-12-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3
InChIKeyFTNHOOCUDRKWPX-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.30
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-cyclohexyl-2,2-dimethoxyethanamine?
The IUPAC name of N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine (CID 141068378) is N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine.
What is the SMILES notation for N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine?
The canonical SMILES for N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine is COC(CNCl)(OC)C1CCCCC1.
What is the InChIKey of N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine?
The InChIKey is FTNHOOCUDRKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-13-10(14-2,8-12-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine?
N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine has a molecular weight of 221.73 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-cyclohexyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 141068378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).