5-amino-2,7-dimethyloctan-4-ol

C10H23NO — CID 54358847

IUPAC5-amino-2,7-dimethyloctan-4-ol
SMILESCC(C)CC(N)C(O)CC(C)C
InChIInChI=1S/C10H23NO/c1-7(2)5-9(11)10(12)6-8(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyULAXBEWBFPKLAL-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 5-amino-2,7-dimethyloctan-4-ol

5-amino-2,7-dimethyloctan-4-ol (PubChem CID 54358847) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-amino-2,7-dimethyloctan-4-ol.

Molecular Properties

Compound Name5-amino-2,7-dimethyloctan-4-ol
PubChem CID54358847
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-amino-2,7-dimethyloctan-4-ol
SMILESCC(C)CC(N)C(O)CC(C)C
InChIInChI=1S/C10H23NO/c1-7(2)5-9(11)10(12)6-8(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyULAXBEWBFPKLAL-UHFFFAOYSA-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

3-amino-5-methylhexane-1,2-diol
CID 85255378
5-amino-2-methylheptan-4-ol
CID 21419745
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
CID 131863647
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
4-amino-2-methylundecan-5-ol
CID 72805371
2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,7-dimethyloctan-4-ol?
The IUPAC name of 5-amino-2,7-dimethyloctan-4-ol (CID 54358847) is 5-amino-2,7-dimethyloctan-4-ol.
What is the SMILES notation for 5-amino-2,7-dimethyloctan-4-ol?
The canonical SMILES for 5-amino-2,7-dimethyloctan-4-ol is CC(C)CC(N)C(O)CC(C)C.
What is the InChIKey of 5-amino-2,7-dimethyloctan-4-ol?
The InChIKey is ULAXBEWBFPKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-7(2)5-9(11)10(12)6-8(3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 5-amino-2,7-dimethyloctan-4-ol?
5-amino-2,7-dimethyloctan-4-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 5-amino-2,7-dimethyloctan-4-ol is sourced from PubChem (CID 54358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).