3-chloro-N-methoxycyclohexan-1-imine

C7H12ClNO — CID 174599661

IUPAC3-chloro-N-methoxycyclohexan-1-imine
SMILESCON=C1CCCC(Cl)C1
InChIInChI=1S/C7H12ClNO/c1-10-9-7-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKeyNJKUMWAKYBMDHO-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.17
Rot. Bonds1

About 3-chloro-N-methoxycyclohexan-1-imine

3-chloro-N-methoxycyclohexan-1-imine (PubChem CID 174599661) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 3-chloro-N-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name3-chloro-N-methoxycyclohexan-1-imine
PubChem CID174599661
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name3-chloro-N-methoxycyclohexan-1-imine
SMILESCON=C1CCCC(Cl)C1
InChIInChI=1S/C7H12ClNO/c1-10-9-7-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKeyNJKUMWAKYBMDHO-UHFFFAOYSA-N
XLogP2.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478
3-methoxyiminocyclododecane-1-carbonitrile
CID 118511445
3-methoxyiminocyclononane-1-carbonitrile
CID 140887446
(Z)-N-methoxy-3-methylcyclopentan-1-imine
CID 154039461
1-chloro-3-methylidenecyclohexane
CID 23528892
2-[(3-methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
CID 88593973
4-ethyl-N-methoxycyclohexan-1-imine
CID 88984726
N-methoxy-3-propan-2-yloxycyclobutan-1-imine
CID 131140593
[(3-cyanocyclododecylidene)amino] acetate
CID 118511524
(Z)-1-fluoro-N-methoxyazepan-4-imine
CID 166778007
(1S)-2-methoxyiminocyclohexan-1-amine
CID 123180049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxycyclohexan-1-imine?
The IUPAC name of 3-chloro-N-methoxycyclohexan-1-imine (CID 174599661) is 3-chloro-N-methoxycyclohexan-1-imine.
What is the SMILES notation for 3-chloro-N-methoxycyclohexan-1-imine?
The canonical SMILES for 3-chloro-N-methoxycyclohexan-1-imine is CON=C1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-N-methoxycyclohexan-1-imine?
The InChIKey is NJKUMWAKYBMDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-10-9-7-4-2-3-6(8)5-7/h6H,2-5H2,1H3.
What are the key properties of 3-chloro-N-methoxycyclohexan-1-imine?
3-chloro-N-methoxycyclohexan-1-imine has a molecular weight of 161.63 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxycyclohexan-1-imine is sourced from PubChem (CID 174599661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).