1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one

C15H27NO2 — CID 114193537

IUPAC1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one
SMILESO=C(CCCCC1CCOCC1)CNCC1CC1
InChIInChI=1S/C15H27NO2/c17-15(12-16-11-14-5-6-14)4-2-1-3-13-7-9-18-10-8-13/h13-14,16H,1-12H2
InChIKeyHPGZPFUOJBRXPF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.54
Rot. Bonds9

About 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one

1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one (PubChem CID 114193537) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one
PubChem CID114193537
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one
SMILESO=C(CCCCC1CCOCC1)CNCC1CC1
InChIInChI=1S/C15H27NO2/c17-15(12-16-11-14-5-6-14)4-2-1-3-13-7-9-18-10-8-13/h13-14,16H,1-12H2
InChIKeyHPGZPFUOJBRXPF-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-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-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one (CID 114193537) is 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one is O=C(CCCCC1CCOCC1)CNCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one?
The InChIKey is HPGZPFUOJBRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(12-16-11-14-5-6-14)4-2-1-3-13-7-9-18-10-8-13/h13-14,16H,1-12H2.
What are the key properties of 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one?
1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-6-(oxan-4-yl)hexan-2-one is sourced from PubChem (CID 114193537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).