4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one

C15H31N3O — CID 63904078

IUPAC4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one
SMILESCCN(CC)CCCC(C)NC1CCCNC(=O)C1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)11-7-8-13(3)17-14-9-6-10-16-15(19)12-14/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyDZZVGWZJTYUURM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds8

About 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one

4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one (PubChem CID 63904078) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one
PubChem CID63904078
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one
SMILESCCN(CC)CCCC(C)NC1CCCNC(=O)C1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)11-7-8-13(3)17-14-9-6-10-16-15(19)12-14/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyDZZVGWZJTYUURM-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one (CID 63904078) is 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one is CCN(CC)CCCC(C)NC1CCCNC(=O)C1.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one?
The InChIKey is DZZVGWZJTYUURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(5-2)11-7-8-13(3)17-14-9-6-10-16-15(19)12-14/h13-14,17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one?
4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one has a molecular weight of 269.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one is sourced from PubChem (CID 63904078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).