(3S,8S)-3,8-diaminodecane-2,9-dione

C10H20N2O2 — CID 155082610

IUPAC(3S,8S)-3,8-diaminodecane-2,9-dione
SMILESCC(=O)[C@@H](N)CCCC[C@H](N)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h9-10H,3-6,11-12H2,1-2H3/t9-,10-/m0/s1
InChIKeyOENFDCNBLHYMGL-UWVGGRQHSA-N
MW200.28 g/mol
LogP0.38
Rot. Bonds7

About (3S,8S)-3,8-diaminodecane-2,9-dione

(3S,8S)-3,8-diaminodecane-2,9-dione (PubChem CID 155082610) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S,8S)-3,8-diaminodecane-2,9-dione.

Molecular Properties

Compound Name(3S,8S)-3,8-diaminodecane-2,9-dione
PubChem CID155082610
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S,8S)-3,8-diaminodecane-2,9-dione
SMILESCC(=O)[C@@H](N)CCCC[C@H](N)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h9-10H,3-6,11-12H2,1-2H3/t9-,10-/m0/s1
InChIKeyOENFDCNBLHYMGL-UWVGGRQHSA-N
XLogP0.38
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 13478908
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(3S)-3-aminoundecane-2,9-dione
CID 148839673
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
3-amino-7-(iodoiodanuidylamino)heptan-2-one
CID 176943999
(3R)-3-aminoheptane-2,6-dione
CID 154592232
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
(3S)-3-amino-6-(aminomethoxy)hexan-2-one
CID 174311583
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849

Frequently Asked Questions

What is the IUPAC name of (3S,8S)-3,8-diaminodecane-2,9-dione?
The IUPAC name of (3S,8S)-3,8-diaminodecane-2,9-dione (CID 155082610) is (3S,8S)-3,8-diaminodecane-2,9-dione.
What is the SMILES notation for (3S,8S)-3,8-diaminodecane-2,9-dione?
The canonical SMILES for (3S,8S)-3,8-diaminodecane-2,9-dione is CC(=O)[C@@H](N)CCCC[C@H](N)C(C)=O.
What is the InChIKey of (3S,8S)-3,8-diaminodecane-2,9-dione?
The InChIKey is OENFDCNBLHYMGL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h9-10H,3-6,11-12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,8S)-3,8-diaminodecane-2,9-dione?
(3S,8S)-3,8-diaminodecane-2,9-dione has a molecular weight of 200.28 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8S)-3,8-diaminodecane-2,9-dione is sourced from PubChem (CID 155082610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).