4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine

C16H32N2O — CID 129259368

IUPAC4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine
SMILESCC(C)N1CCCC(CC(C)N2CCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-7-4-5-16(6-8-17)13-15(3)18-9-11-19-12-10-18/h14-16H,4-13H2,1-3H3
InChIKeyPGVAEVVEOBCWFD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds4

About 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine

4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine (PubChem CID 129259368) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine
PubChem CID129259368
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine
SMILESCC(C)N1CCCC(CC(C)N2CCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-7-4-5-16(6-8-17)13-15(3)18-9-11-19-12-10-18/h14-16H,4-13H2,1-3H3
InChIKeyPGVAEVVEOBCWFD-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine 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 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine (CID 129259368) is 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine is CC(C)N1CCCC(CC(C)N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine?
The InChIKey is PGVAEVVEOBCWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-7-4-5-16(6-8-17)13-15(3)18-9-11-19-12-10-18/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine?
4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-propan-2-ylazepan-4-yl)propan-2-yl]morpholine is sourced from PubChem (CID 129259368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).