(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol

C11H26N2O — CID 10512329

IUPAC(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
SMILESCC(C)C[C@@H](N)C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H26N2O/c1-7(2)5-9(12)11(14)10(13)6-8(3)4/h7-11,14H,5-6,12-13H2,1-4H3/t9-,10+,11?
InChIKeyUNEGIFTZIAHDHW-ZACCUICWSA-N
MW202.34 g/mol
LogP1.09
Rot. Bonds6

About (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol

(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol (PubChem CID 10512329) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol.

Molecular Properties

Compound Name(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
PubChem CID10512329
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
SMILESCC(C)C[C@@H](N)C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H26N2O/c1-7(2)5-9(12)11(14)10(13)6-8(3)4/h7-11,14H,5-6,12-13H2,1-4H3/t9-,10+,11?
InChIKeyUNEGIFTZIAHDHW-ZACCUICWSA-N
XLogP1.09
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
(4S)-4-amino-6-methyl-1-propan-2-ylsulfanylheptane-2,3-diol
CID 22844602
3-amino-5-methylhexane-1,2-diol
CID 85255378
2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
5-amino-2-methylheptan-4-ol
CID 21419745
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol?
The IUPAC name of (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol (CID 10512329) is (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol.
What is the SMILES notation for (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol?
The canonical SMILES for (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol is CC(C)C[C@@H](N)C(O)[C@@H](N)CC(C)C.
What is the InChIKey of (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol?
The InChIKey is UNEGIFTZIAHDHW-ZACCUICWSA-N. The full InChI is InChI=1S/C11H26N2O/c1-7(2)5-9(12)11(14)10(13)6-8(3)4/h7-11,14H,5-6,12-13H2,1-4H3/t9-,10+,11?.
What are the key properties of (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol?
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol has a molecular weight of 202.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol is sourced from PubChem (CID 10512329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).