N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine

C9H16ClNO2 — CID 27001632

IUPACN-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine
SMILESCOC(=N[C@H]1CCCC[C@@H]1Cl)OC
InChIInChI=1S/C9H16ClNO2/c1-12-9(13-2)11-8-6-4-3-5-7(8)10/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyZORXBKLRPBUTNF-YUMQZZPRSA-N
MW205.68 g/mol
LogP2.19
Rot. Bonds1

About N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine

N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine (PubChem CID 27001632) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine.

Molecular Properties

Compound NameN-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine
PubChem CID27001632
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine
SMILESCOC(=N[C@H]1CCCC[C@@H]1Cl)OC
InChIInChI=1S/C9H16ClNO2/c1-12-9(13-2)11-8-6-4-3-5-7(8)10/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyZORXBKLRPBUTNF-YUMQZZPRSA-N
XLogP2.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
CID 13273722
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025611
(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol
CID 130847345
2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt
CID 140738520
1-cyclopentyl-2-(2-methoxycyclopentyl)guanidine
CID 62362535
2-cyclopentyl-1-methoxyguanidine
CID 130567773
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
2-chlorocyclooctan-1-ol
CID 15084406
1,2,3,4,5,6-hexachlorocyclodecane
CID 23497888
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine?
The IUPAC name of N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine (CID 27001632) is N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine.
What is the SMILES notation for N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine?
The canonical SMILES for N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine is COC(=N[C@H]1CCCC[C@@H]1Cl)OC.
What is the InChIKey of N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine?
The InChIKey is ZORXBKLRPBUTNF-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-12-9(13-2)11-8-6-4-3-5-7(8)10/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine?
N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine has a molecular weight of 205.68 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine is sourced from PubChem (CID 27001632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).