3-amino-8-iminodecan-2-one;methane

C12H28N2O — CID 157415458

IUPAC3-amino-8-iminodecan-2-one;methane
SMILESC.C.[H]/N=C(\CC)CCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O.2CH4/c1-3-9(11)6-4-5-7-10(12)8(2)13;;/h10-11H,3-7,12H2,1-2H3;2*1H4/b11-9+;;
InChIKeyBOUGZKYLPCKLHJ-OTBYXNOXSA-N
MW216.37 g/mol
LogP3.17
Rot. Bonds7

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

3-amino-8-iminodecan-2-one;methane (PubChem CID 157415458) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-amino-8-iminodecan-2-one;methane.

Molecular Properties

Compound Name3-amino-8-iminodecan-2-one;methane
PubChem CID157415458
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-amino-8-iminodecan-2-one;methane
SMILESC.C.[H]/N=C(\CC)CCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O.2CH4/c1-3-9(11)6-4-5-7-10(12)8(2)13;;/h10-11H,3-7,12H2,1-2H3;2*1H4/b11-9+;;
InChIKeyBOUGZKYLPCKLHJ-OTBYXNOXSA-N
XLogP3.17
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.17
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;methane?
The IUPAC name of 3-amino-8-iminodecan-2-one;methane (CID 157415458) is 3-amino-8-iminodecan-2-one;methane.
What is the SMILES notation for 3-amino-8-iminodecan-2-one;methane?
The canonical SMILES for 3-amino-8-iminodecan-2-one;methane is C.C.[H]/N=C(\CC)CCCCC(N)C(C)=O.
What is the InChIKey of 3-amino-8-iminodecan-2-one;methane?
The InChIKey is BOUGZKYLPCKLHJ-OTBYXNOXSA-N. The full InChI is InChI=1S/C10H20N2O.2CH4/c1-3-9(11)6-4-5-7-10(12)8(2)13;;/h10-11H,3-7,12H2,1-2H3;2*1H4/b11-9+;;.
What are the key properties of 3-amino-8-iminodecan-2-one;methane?
3-amino-8-iminodecan-2-one;methane has a molecular weight of 216.37 g/mol, XLogP of 3.17, 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;methane is sourced from PubChem (CID 157415458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).