5-(dicyclohexylamino)pentan-2-one

C17H31NO — CID 43792691

IUPAC5-(dicyclohexylamino)pentan-2-one
SMILESCC(=O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-15(19)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h16-17H,2-14H2,1H3
InChIKeyPUKKFBOYVHPKRI-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.32
Rot. Bonds6

About 5-(dicyclohexylamino)pentan-2-one

5-(dicyclohexylamino)pentan-2-one (PubChem CID 43792691) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-(dicyclohexylamino)pentan-2-one.

Molecular Properties

Compound Name5-(dicyclohexylamino)pentan-2-one
PubChem CID43792691
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name5-(dicyclohexylamino)pentan-2-one
SMILESCC(=O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-15(19)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h16-17H,2-14H2,1H3
InChIKeyPUKKFBOYVHPKRI-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dicyclohexylamino)pentan-2-one?
The IUPAC name of 5-(dicyclohexylamino)pentan-2-one (CID 43792691) is 5-(dicyclohexylamino)pentan-2-one.
What is the SMILES notation for 5-(dicyclohexylamino)pentan-2-one?
The canonical SMILES for 5-(dicyclohexylamino)pentan-2-one is CC(=O)CCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-(dicyclohexylamino)pentan-2-one?
The InChIKey is PUKKFBOYVHPKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(19)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h16-17H,2-14H2,1H3.
What are the key properties of 5-(dicyclohexylamino)pentan-2-one?
5-(dicyclohexylamino)pentan-2-one has a molecular weight of 265.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)pentan-2-one is sourced from PubChem (CID 43792691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).