4-(3-methoxypropylamino)cyclohexan-1-one

C10H19NO2 — CID 117027816

IUPAC4-(3-methoxypropylamino)cyclohexan-1-one
SMILESCOCCCNC1CCC(=O)CC1
InChIInChI=1S/C10H19NO2/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3
InChIKeyQUHULDPQSMAQKO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.12
Rot. Bonds5

About 4-(3-methoxypropylamino)cyclohexan-1-one

4-(3-methoxypropylamino)cyclohexan-1-one (PubChem CID 117027816) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-methoxypropylamino)cyclohexan-1-one
PubChem CID117027816
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(3-methoxypropylamino)cyclohexan-1-one
SMILESCOCCCNC1CCC(=O)CC1
InChIInChI=1S/C10H19NO2/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3
InChIKeyQUHULDPQSMAQKO-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)cyclohexan-1-one?
The IUPAC name of 4-(3-methoxypropylamino)cyclohexan-1-one (CID 117027816) is 4-(3-methoxypropylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(3-methoxypropylamino)cyclohexan-1-one?
The canonical SMILES for 4-(3-methoxypropylamino)cyclohexan-1-one is COCCCNC1CCC(=O)CC1.
What is the InChIKey of 4-(3-methoxypropylamino)cyclohexan-1-one?
The InChIKey is QUHULDPQSMAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 4-(3-methoxypropylamino)cyclohexan-1-one?
4-(3-methoxypropylamino)cyclohexan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)cyclohexan-1-one is sourced from PubChem (CID 117027816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).