(1S)-2-methoxyiminocyclohexan-1-amine

C7H14N2O — CID 123180049

IUPAC(1S)-2-methoxyiminocyclohexan-1-amine
SMILESCON=C1CCCC[C@@H]1N
InChIInChI=1S/C7H14N2O/c1-10-9-7-5-3-2-4-6(7)8/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyBRTVZCQUOCXAFF-LURJTMIESA-N
MW142.20 g/mol
LogP0.89
Rot. Bonds1

About (1S)-2-methoxyiminocyclohexan-1-amine

(1S)-2-methoxyiminocyclohexan-1-amine (PubChem CID 123180049) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S)-2-methoxyiminocyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2-methoxyiminocyclohexan-1-amine
PubChem CID123180049
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1S)-2-methoxyiminocyclohexan-1-amine
SMILESCON=C1CCCC[C@@H]1N
InChIInChI=1S/C7H14N2O/c1-10-9-7-5-3-2-4-6(7)8/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyBRTVZCQUOCXAFF-LURJTMIESA-N
XLogP0.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-methoxyiminopiperidin-4-amine
CID 55284082
(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
CID 88593973
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
N-methoxybicyclo[3.1.1]heptan-2-imine
CID 141284498
N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 135190354
(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
CID 87909315
1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478
(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
CID 88565212
tert-butyl (4E)-3-amino-4-methoxyiminopiperidine-1-carboxylate
CID 155905421
3-methoxyiminocyclododecane-1-carbonitrile
CID 118511445
3-methoxyiminocyclononane-1-carbonitrile
CID 140887446
(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxyiminocyclohexan-1-amine?
The IUPAC name of (1S)-2-methoxyiminocyclohexan-1-amine (CID 123180049) is (1S)-2-methoxyiminocyclohexan-1-amine.
What is the SMILES notation for (1S)-2-methoxyiminocyclohexan-1-amine?
The canonical SMILES for (1S)-2-methoxyiminocyclohexan-1-amine is CON=C1CCCC[C@@H]1N.
What is the InChIKey of (1S)-2-methoxyiminocyclohexan-1-amine?
The InChIKey is BRTVZCQUOCXAFF-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-10-9-7-5-3-2-4-6(7)8/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-2-methoxyiminocyclohexan-1-amine?
(1S)-2-methoxyiminocyclohexan-1-amine has a molecular weight of 142.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxyiminocyclohexan-1-amine is sourced from PubChem (CID 123180049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).