(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol

C12H27NO — CID 57116135

IUPAC(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol
SMILESCC(C)C[C@H](N)[C@@H](O)CC(C)C(C)C
InChIInChI=1S/C12H27NO/c1-8(2)6-11(13)12(14)7-10(5)9(3)4/h8-12,14H,6-7,13H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyMHOKEVUEIGXTDO-RAMGSTBQSA-N
MW201.35 g/mol
LogP2.40
Rot. Bonds6

About (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol

(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol (PubChem CID 57116135) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol.

Molecular Properties

Compound Name(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol
PubChem CID57116135
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol
SMILESCC(C)C[C@H](N)[C@@H](O)CC(C)C(C)C
InChIInChI=1S/C12H27NO/c1-8(2)6-11(13)12(14)7-10(5)9(3)4/h8-12,14H,6-7,13H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyMHOKEVUEIGXTDO-RAMGSTBQSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol?
The IUPAC name of (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol (CID 57116135) is (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol.
What is the SMILES notation for (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol?
The canonical SMILES for (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol is CC(C)C[C@H](N)[C@@H](O)CC(C)C(C)C.
What is the InChIKey of (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol?
The InChIKey is MHOKEVUEIGXTDO-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H27NO/c1-8(2)6-11(13)12(14)7-10(5)9(3)4/h8-12,14H,6-7,13H2,1-5H3/t10?,11-,12-/m0/s1.
What are the key properties of (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol?
(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol has a molecular weight of 201.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol is sourced from PubChem (CID 57116135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).