(3R)-5-amino-2,7-dimethyloctan-3-ol

C10H23NO — CID 167246678

IUPAC(3R)-5-amino-2,7-dimethyloctan-3-ol
SMILESCC(C)CC(N)C[C@@H](O)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)5-9(11)6-10(12)8(3)4/h7-10,12H,5-6,11H2,1-4H3/t9?,10-/m1/s1
InChIKeyZHODIBBTEVZYDO-QVDQXJPCSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About (3R)-5-amino-2,7-dimethyloctan-3-ol

(3R)-5-amino-2,7-dimethyloctan-3-ol (PubChem CID 167246678) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (3R)-5-amino-2,7-dimethyloctan-3-ol.

Molecular Properties

Compound Name(3R)-5-amino-2,7-dimethyloctan-3-ol
PubChem CID167246678
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(3R)-5-amino-2,7-dimethyloctan-3-ol
SMILESCC(C)CC(N)C[C@@H](O)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)5-9(11)6-10(12)8(3)4/h7-10,12H,5-6,11H2,1-4H3/t9?,10-/m1/s1
InChIKeyZHODIBBTEVZYDO-QVDQXJPCSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-2,7-dimethyloctane-3,5-diol
CID 14895751
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
CID 171237157
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
9-amino-2-methyldodecane-3,5,7-triol
CID 89065903
butane;2,5-dimethylhexan-3-ol;(E)-2,5-dimethylhex-3-ene;propane
CID 157485738
3-amino-5-methylhexane-1,2-diol
CID 85255378
5-amino-2-methylheptan-4-ol
CID 21419745
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586

Frequently Asked Questions

What is the IUPAC name of (3R)-5-amino-2,7-dimethyloctan-3-ol?
The IUPAC name of (3R)-5-amino-2,7-dimethyloctan-3-ol (CID 167246678) is (3R)-5-amino-2,7-dimethyloctan-3-ol.
What is the SMILES notation for (3R)-5-amino-2,7-dimethyloctan-3-ol?
The canonical SMILES for (3R)-5-amino-2,7-dimethyloctan-3-ol is CC(C)CC(N)C[C@@H](O)C(C)C.
What is the InChIKey of (3R)-5-amino-2,7-dimethyloctan-3-ol?
The InChIKey is ZHODIBBTEVZYDO-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H23NO/c1-7(2)5-9(11)6-10(12)8(3)4/h7-10,12H,5-6,11H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (3R)-5-amino-2,7-dimethyloctan-3-ol?
(3R)-5-amino-2,7-dimethyloctan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-2,7-dimethyloctan-3-ol is sourced from PubChem (CID 167246678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).