1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one

C19H35NO2 — CID 67478242

IUPAC1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one
SMILESCCC(=O)CN[C@@H]1CCCCC1OCCCC1CCCCC1
InChIInChI=1S/C19H35NO2/c1-2-17(21)15-20-18-12-6-7-13-19(18)22-14-8-11-16-9-4-3-5-10-16/h16,18-20H,2-15H2,1H3/t18-,19?/m1/s1
InChIKeyPOJRSYSFQJHTGB-MRTLOADZSA-N
MW309.49 g/mol
LogP4.24
Rot. Bonds9

About 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one

1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one (PubChem CID 67478242) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one.

Molecular Properties

Compound Name1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one
PubChem CID67478242
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one
SMILESCCC(=O)CN[C@@H]1CCCCC1OCCCC1CCCCC1
InChIInChI=1S/C19H35NO2/c1-2-17(21)15-20-18-12-6-7-13-19(18)22-14-8-11-16-9-4-3-5-10-16/h16,18-20H,2-15H2,1H3/t18-,19?/m1/s1
InChIKeyPOJRSYSFQJHTGB-MRTLOADZSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one?
The IUPAC name of 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one (CID 67478242) is 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one.
What is the SMILES notation for 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one?
The canonical SMILES for 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one is CCC(=O)CN[C@@H]1CCCCC1OCCCC1CCCCC1.
What is the InChIKey of 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one?
The InChIKey is POJRSYSFQJHTGB-MRTLOADZSA-N. The full InChI is InChI=1S/C19H35NO2/c1-2-17(21)15-20-18-12-6-7-13-19(18)22-14-8-11-16-9-4-3-5-10-16/h16,18-20H,2-15H2,1H3/t18-,19?/m1/s1.
What are the key properties of 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one?
1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one has a molecular weight of 309.49 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]amino]butan-2-one is sourced from PubChem (CID 67478242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).