(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one

C12H24N2O — CID 163441326

IUPAC(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one
SMILESC=C(N)CCCC[C@@H](N)C(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(13)7-5-6-8-10(14)11(15)12(2,3)4/h10H,1,5-8,13-14H2,2-4H3/t10-/m1/s1
InChIKeyUYIKOCQIIHVJAM-SNVBAGLBSA-N
MW212.34 g/mol
LogP1.96
Rot. Bonds6

About (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one

(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one (PubChem CID 163441326) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one.

Molecular Properties

Compound Name(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one
PubChem CID163441326
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one
SMILESC=C(N)CCCC[C@@H](N)C(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(13)7-5-6-8-10(14)11(15)12(2,3)4/h10H,1,5-8,13-14H2,2-4H3/t10-/m1/s1
InChIKeyUYIKOCQIIHVJAM-SNVBAGLBSA-N
XLogP1.96
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.96
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

(4S)-4-amino-2,2-dimethyloctan-3-one;ethane;molecular hydrogen
CID 177241681
4-amino-2,2-dimethylheptan-3-one
CID 116554671
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
(5S)-5,9-diamino-3,3-dimethylnonan-4-one
CID 166782124
4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
CID 142239702
4,8-diamino-2,2-dimethyl-1-sulfanyloctan-3-one
CID 139474804
2-amino-9-methyl-8-methylidenedec-9-enoic acid
CID 147476332
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
CID 142239634

Frequently Asked Questions

What is the IUPAC name of (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one?
The IUPAC name of (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one (CID 163441326) is (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one.
What is the SMILES notation for (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one?
The canonical SMILES for (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one is C=C(N)CCCC[C@@H](N)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one?
The InChIKey is UYIKOCQIIHVJAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(13)7-5-6-8-10(14)11(15)12(2,3)4/h10H,1,5-8,13-14H2,2-4H3/t10-/m1/s1.
What are the key properties of (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one?
(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one has a molecular weight of 212.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one is sourced from PubChem (CID 163441326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).