3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine

C14H29N3O — CID 88732702

IUPAC3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine
SMILESCCON=C1CCCC(NC)C1CC(CC)NC
InChIInChI=1S/C14H29N3O/c1-5-11(15-3)10-12-13(16-4)8-7-9-14(12)17-18-6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyJVCFUOQDLVOGGG-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds7

About 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine

3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine (PubChem CID 88732702) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine
PubChem CID88732702
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine
SMILESCCON=C1CCCC(NC)C1CC(CC)NC
InChIInChI=1S/C14H29N3O/c1-5-11(15-3)10-12-13(16-4)8-7-9-14(12)17-18-6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyJVCFUOQDLVOGGG-UHFFFAOYSA-N
XLogP2.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine?
The IUPAC name of 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine (CID 88732702) is 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine is CCON=C1CCCC(NC)C1CC(CC)NC.
What is the InChIKey of 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine?
The InChIKey is JVCFUOQDLVOGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-11(15-3)10-12-13(16-4)8-7-9-14(12)17-18-6-2/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine?
3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine is sourced from PubChem (CID 88732702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).