7-amino-2-methyloctan-2-ol

C9H21NO — CID 23591595

IUPAC7-amino-2-methyloctan-2-ol
SMILESCC(N)CCCCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-8(10)6-4-5-7-9(2,3)11/h8,11H,4-7,10H2,1-3H3
InChIKeyRFUDIJFZYXLRIG-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 7-amino-2-methyloctan-2-ol

7-amino-2-methyloctan-2-ol (PubChem CID 23591595) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 7-amino-2-methyloctan-2-ol.

Molecular Properties

Compound Name7-amino-2-methyloctan-2-ol
PubChem CID23591595
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name7-amino-2-methyloctan-2-ol
SMILESCC(N)CCCCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-8(10)6-4-5-7-9(2,3)11/h8,11H,4-7,10H2,1-3H3
InChIKeyRFUDIJFZYXLRIG-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyloctan-2-ol?
The IUPAC name of 7-amino-2-methyloctan-2-ol (CID 23591595) is 7-amino-2-methyloctan-2-ol.
What is the SMILES notation for 7-amino-2-methyloctan-2-ol?
The canonical SMILES for 7-amino-2-methyloctan-2-ol is CC(N)CCCCC(C)(C)O.
What is the InChIKey of 7-amino-2-methyloctan-2-ol?
The InChIKey is RFUDIJFZYXLRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(10)6-4-5-7-9(2,3)11/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 7-amino-2-methyloctan-2-ol?
7-amino-2-methyloctan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyloctan-2-ol is sourced from PubChem (CID 23591595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).