3-(6-methylheptan-2-ylamino)azepan-2-one

C14H28N2O — CID 60719494

IUPAC3-(6-methylheptan-2-ylamino)azepan-2-one
SMILESCC(C)CCCC(C)NC1CCCCNC1=O
InChIInChI=1S/C14H28N2O/c1-11(2)7-6-8-12(3)16-13-9-4-5-10-15-14(13)17/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeySMZXOYIPMPBHCS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About 3-(6-methylheptan-2-ylamino)azepan-2-one

3-(6-methylheptan-2-ylamino)azepan-2-one (PubChem CID 60719494) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(6-methylheptan-2-ylamino)azepan-2-one.

Molecular Properties

Compound Name3-(6-methylheptan-2-ylamino)azepan-2-one
PubChem CID60719494
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(6-methylheptan-2-ylamino)azepan-2-one
SMILESCC(C)CCCC(C)NC1CCCCNC1=O
InChIInChI=1S/C14H28N2O/c1-11(2)7-6-8-12(3)16-13-9-4-5-10-15-14(13)17/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeySMZXOYIPMPBHCS-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-ylamino)azepan-2-one?
The IUPAC name of 3-(6-methylheptan-2-ylamino)azepan-2-one (CID 60719494) is 3-(6-methylheptan-2-ylamino)azepan-2-one.
What is the SMILES notation for 3-(6-methylheptan-2-ylamino)azepan-2-one?
The canonical SMILES for 3-(6-methylheptan-2-ylamino)azepan-2-one is CC(C)CCCC(C)NC1CCCCNC1=O.
What is the InChIKey of 3-(6-methylheptan-2-ylamino)azepan-2-one?
The InChIKey is SMZXOYIPMPBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)7-6-8-12(3)16-13-9-4-5-10-15-14(13)17/h11-13,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 3-(6-methylheptan-2-ylamino)azepan-2-one?
3-(6-methylheptan-2-ylamino)azepan-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-ylamino)azepan-2-one is sourced from PubChem (CID 60719494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).