(5S)-5,9-diamino-3,3-dimethylnonan-4-one

C11H24N2O — CID 166782124

IUPAC(5S)-5,9-diamino-3,3-dimethylnonan-4-one
SMILESCCC(C)(C)C(=O)[C@@H](N)CCCCN
InChIInChI=1S/C11H24N2O/c1-4-11(2,3)10(14)9(13)7-5-6-8-12/h9H,4-8,12-13H2,1-3H3/t9-/m0/s1
InChIKeyDIPLBBNBRMUNMK-VIFPVBQESA-N
MW200.33 g/mol
LogP1.45
Rot. Bonds7

About (5S)-5,9-diamino-3,3-dimethylnonan-4-one

(5S)-5,9-diamino-3,3-dimethylnonan-4-one (PubChem CID 166782124) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (5S)-5,9-diamino-3,3-dimethylnonan-4-one.

Molecular Properties

Compound Name(5S)-5,9-diamino-3,3-dimethylnonan-4-one
PubChem CID166782124
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(5S)-5,9-diamino-3,3-dimethylnonan-4-one
SMILESCCC(C)(C)C(=O)[C@@H](N)CCCCN
InChIInChI=1S/C11H24N2O/c1-4-11(2,3)10(14)9(13)7-5-6-8-12/h9H,4-8,12-13H2,1-3H3/t9-/m0/s1
InChIKeyDIPLBBNBRMUNMK-VIFPVBQESA-N
XLogP1.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(4S)-2,4,8-triamino-2-ethyl-3-oxooctanoic acid
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4,4,6,10-tetraaminodecan-5-one
CID 126506063
2-aminobutan-2-yl (2S)-2,6-diaminohexanoate
CID 139681735
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
CID 142227816
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of (5S)-5,9-diamino-3,3-dimethylnonan-4-one?
The IUPAC name of (5S)-5,9-diamino-3,3-dimethylnonan-4-one (CID 166782124) is (5S)-5,9-diamino-3,3-dimethylnonan-4-one.
What is the SMILES notation for (5S)-5,9-diamino-3,3-dimethylnonan-4-one?
The canonical SMILES for (5S)-5,9-diamino-3,3-dimethylnonan-4-one is CCC(C)(C)C(=O)[C@@H](N)CCCCN.
What is the InChIKey of (5S)-5,9-diamino-3,3-dimethylnonan-4-one?
The InChIKey is DIPLBBNBRMUNMK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-11(2,3)10(14)9(13)7-5-6-8-12/h9H,4-8,12-13H2,1-3H3/t9-/m0/s1.
What are the key properties of (5S)-5,9-diamino-3,3-dimethylnonan-4-one?
(5S)-5,9-diamino-3,3-dimethylnonan-4-one has a molecular weight of 200.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,9-diamino-3,3-dimethylnonan-4-one is sourced from PubChem (CID 166782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).