(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one

C13H27NO — CID 138525019

IUPAC(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one
SMILESCCCCC(C)(CC)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H27NO/c1-6-8-9-13(5,7-2)12(15)11(14)10(3)4/h10-11H,6-9,14H2,1-5H3/t11-,13?/m1/s1
InChIKeyVTBQDGNGWYRBMK-JTDNENJMSA-N
MW213.36 g/mol
LogP3.15
Rot. Bonds7

About (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one

(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one (PubChem CID 138525019) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one.

Molecular Properties

Compound Name(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one
PubChem CID138525019
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one
SMILESCCCCC(C)(CC)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H27NO/c1-6-8-9-13(5,7-2)12(15)11(14)10(3)4/h10-11H,6-9,14H2,1-5H3/t11-,13?/m1/s1
InChIKeyVTBQDGNGWYRBMK-JTDNENJMSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-methylhexanoate
CID 86308625
N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide
CID 146626547
2-butyl-2-methylhexanoic acid
CID 15930803
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
N-tert-butyl-2-ethyl-2-methylhexanamide
CID 146411812
(3S)-3-amino-2-methylheptan-4-one
CID 88971560
(3S)-3-amino-2,7,7-trimethyloctan-4-one
CID 89201643
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
[(2R)-4-ethyl-4-methyl-3-oxooctan-2-yl] 2,4-dimethyl-5-(4-methyloctan-4-yloxy)pentanoate
CID 89385881
3-amino-2-methylheptan-4-one;hydrochloride
CID 163199356
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one?
The IUPAC name of (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one (CID 138525019) is (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one.
What is the SMILES notation for (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one?
The canonical SMILES for (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one is CCCCC(C)(CC)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one?
The InChIKey is VTBQDGNGWYRBMK-JTDNENJMSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-9-13(5,7-2)12(15)11(14)10(3)4/h10-11H,6-9,14H2,1-5H3/t11-,13?/m1/s1.
What are the key properties of (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one?
(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one has a molecular weight of 213.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one is sourced from PubChem (CID 138525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).