6-amino-1-tert-butylazepan-2-one

C10H20N2O — CID 84659748

IUPAC6-amino-1-tert-butylazepan-2-one
SMILESCC(C)(C)N1CC(N)CCCC1=O
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11)5-4-6-9(12)13/h8H,4-7,11H2,1-3H3
InChIKeyXORPPPCNKUJOBN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.12
Rot. Bonds

About 6-amino-1-tert-butylazepan-2-one

6-amino-1-tert-butylazepan-2-one (PubChem CID 84659748) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-amino-1-tert-butylazepan-2-one.

Molecular Properties

Compound Name6-amino-1-tert-butylazepan-2-one
PubChem CID84659748
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-amino-1-tert-butylazepan-2-one
SMILESCC(C)(C)N1CC(N)CCCC1=O
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11)5-4-6-9(12)13/h8H,4-7,11H2,1-3H3
InChIKeyXORPPPCNKUJOBN-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-tert-butylazepan-2-one?
The IUPAC name of 6-amino-1-tert-butylazepan-2-one (CID 84659748) is 6-amino-1-tert-butylazepan-2-one.
What is the SMILES notation for 6-amino-1-tert-butylazepan-2-one?
The canonical SMILES for 6-amino-1-tert-butylazepan-2-one is CC(C)(C)N1CC(N)CCCC1=O.
What is the InChIKey of 6-amino-1-tert-butylazepan-2-one?
The InChIKey is XORPPPCNKUJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11)5-4-6-9(12)13/h8H,4-7,11H2,1-3H3.
What are the key properties of 6-amino-1-tert-butylazepan-2-one?
6-amino-1-tert-butylazepan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-tert-butylazepan-2-one is sourced from PubChem (CID 84659748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).