2-amino-2-methyloctan-3-ol

C9H21NO — CID 23423637

IUPAC2-amino-2-methyloctan-3-ol
SMILESCCCCCC(O)C(C)(C)N
InChIInChI=1S/C9H21NO/c1-4-5-6-7-8(11)9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyBCRNSKZTFCXBLT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-2-methyloctan-3-ol

2-amino-2-methyloctan-3-ol (PubChem CID 23423637) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-amino-2-methyloctan-3-ol.

Molecular Properties

Compound Name2-amino-2-methyloctan-3-ol
PubChem CID23423637
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-amino-2-methyloctan-3-ol
SMILESCCCCCC(O)C(C)(C)N
InChIInChI=1S/C9H21NO/c1-4-5-6-7-8(11)9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyBCRNSKZTFCXBLT-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 2-amino-2-methyloctan-3-ol?
The IUPAC name of 2-amino-2-methyloctan-3-ol (CID 23423637) is 2-amino-2-methyloctan-3-ol.
What is the SMILES notation for 2-amino-2-methyloctan-3-ol?
The canonical SMILES for 2-amino-2-methyloctan-3-ol is CCCCCC(O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methyloctan-3-ol?
The InChIKey is BCRNSKZTFCXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-6-7-8(11)9(2,3)10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-2-methyloctan-3-ol?
2-amino-2-methyloctan-3-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 2-amino-2-methyloctan-3-ol is sourced from PubChem (CID 23423637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).