1-amino-4,5-dimethyloctan-1-ol

C10H23NO — CID 88903955

IUPAC1-amino-4,5-dimethyloctan-1-ol
SMILESCCCC(C)C(C)CCC(N)O
InChIInChI=1S/C10H23NO/c1-4-5-8(2)9(3)6-7-10(11)12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyGIDVXLYZNHSTRU-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.12
Rot. Bonds6

About 1-amino-4,5-dimethyloctan-1-ol

1-amino-4,5-dimethyloctan-1-ol (PubChem CID 88903955) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-amino-4,5-dimethyloctan-1-ol.

Molecular Properties

Compound Name1-amino-4,5-dimethyloctan-1-ol
PubChem CID88903955
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-amino-4,5-dimethyloctan-1-ol
SMILESCCCC(C)C(C)CCC(N)O
InChIInChI=1S/C10H23NO/c1-4-5-8(2)9(3)6-7-10(11)12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyGIDVXLYZNHSTRU-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminobutan-1-ol;1-(methylamino)ethanol
CID 157231135
(2R)-3-methylhexan-2-ol
CID 88692749
(2S)-pentan-2-amine
CID 6997344
2-amino-4-methylheptane-1,3-diol
CID 66204531
(3R)-3,4-dimethylheptane
CID 59819300
pentan-2-amine;propane
CID 166536368
(4R)-4-methylheptan-3-ol
CID 12799251
(2S,3S)-2-aminohexan-3-ol
CID 55285025
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
acetyl fluoride;1-aminobutan-1-ol
CID 174904126
2-hydroxy-3-methylhexanamide
CID 62226604
1-aminohexadecan-1-ol
CID 21475561

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,5-dimethyloctan-1-ol?
The IUPAC name of 1-amino-4,5-dimethyloctan-1-ol (CID 88903955) is 1-amino-4,5-dimethyloctan-1-ol.
What is the SMILES notation for 1-amino-4,5-dimethyloctan-1-ol?
The canonical SMILES for 1-amino-4,5-dimethyloctan-1-ol is CCCC(C)C(C)CCC(N)O.
What is the InChIKey of 1-amino-4,5-dimethyloctan-1-ol?
The InChIKey is GIDVXLYZNHSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-8(2)9(3)6-7-10(11)12/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 1-amino-4,5-dimethyloctan-1-ol?
1-amino-4,5-dimethyloctan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,5-dimethyloctan-1-ol is sourced from PubChem (CID 88903955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).