(4S,6R)-3-amino-6-methyloctan-4-ol

C9H21NO — CID 59132362

IUPAC(4S,6R)-3-amino-6-methyloctan-4-ol
SMILESCCC(N)[C@@H](O)C[C@H](C)CC
InChIInChI=1S/C9H21NO/c1-4-7(3)6-9(11)8(10)5-2/h7-9,11H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1
InChIKeyHMXWTZOGKFGKRT-NBXIYJJMSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds5

About (4S,6R)-3-amino-6-methyloctan-4-ol

(4S,6R)-3-amino-6-methyloctan-4-ol (PubChem CID 59132362) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (4S,6R)-3-amino-6-methyloctan-4-ol.

Molecular Properties

Compound Name(4S,6R)-3-amino-6-methyloctan-4-ol
PubChem CID59132362
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(4S,6R)-3-amino-6-methyloctan-4-ol
SMILESCCC(N)[C@@H](O)C[C@H](C)CC
InChIInChI=1S/C9H21NO/c1-4-7(3)6-9(11)8(10)5-2/h7-9,11H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1
InChIKeyHMXWTZOGKFGKRT-NBXIYJJMSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-3-amino-6-methyloctan-4-ol?
The IUPAC name of (4S,6R)-3-amino-6-methyloctan-4-ol (CID 59132362) is (4S,6R)-3-amino-6-methyloctan-4-ol.
What is the SMILES notation for (4S,6R)-3-amino-6-methyloctan-4-ol?
The canonical SMILES for (4S,6R)-3-amino-6-methyloctan-4-ol is CCC(N)[C@@H](O)C[C@H](C)CC.
What is the InChIKey of (4S,6R)-3-amino-6-methyloctan-4-ol?
The InChIKey is HMXWTZOGKFGKRT-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7(3)6-9(11)8(10)5-2/h7-9,11H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1.
What are the key properties of (4S,6R)-3-amino-6-methyloctan-4-ol?
(4S,6R)-3-amino-6-methyloctan-4-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-3-amino-6-methyloctan-4-ol is sourced from PubChem (CID 59132362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).