3-amino-8-iminodecan-2-one

C10H20N2O — CID 157415459

IUPAC3-amino-8-iminodecan-2-one
SMILES[H]/N=C(\CC)CCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O/c1-3-9(11)6-4-5-7-10(12)8(2)13/h10-11H,3-7,12H2,1-2H3/b11-9+
InChIKeyHTXIBJJAFOAJPS-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds7

About 3-amino-8-iminodecan-2-one

3-amino-8-iminodecan-2-one (PubChem CID 157415459) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-8-iminodecan-2-one.

Molecular Properties

Compound Name3-amino-8-iminodecan-2-one
PubChem CID157415459
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-8-iminodecan-2-one
SMILES[H]/N=C(\CC)CCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O/c1-3-9(11)6-4-5-7-10(12)8(2)13/h10-11H,3-7,12H2,1-2H3/b11-9+
InChIKeyHTXIBJJAFOAJPS-PKNBQFBNSA-N
XLogP1.89
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-iminodecan-2-one?
The IUPAC name of 3-amino-8-iminodecan-2-one (CID 157415459) is 3-amino-8-iminodecan-2-one.
What is the SMILES notation for 3-amino-8-iminodecan-2-one?
The canonical SMILES for 3-amino-8-iminodecan-2-one is [H]/N=C(\CC)CCCCC(N)C(C)=O.
What is the InChIKey of 3-amino-8-iminodecan-2-one?
The InChIKey is HTXIBJJAFOAJPS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-9(11)6-4-5-7-10(12)8(2)13/h10-11H,3-7,12H2,1-2H3/b11-9+.
What are the key properties of 3-amino-8-iminodecan-2-one?
3-amino-8-iminodecan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-iminodecan-2-one is sourced from PubChem (CID 157415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).