5-amino-3,3,5-trimethylhexan-1-ol

C9H21NO — CID 23559315

IUPAC5-amino-3,3,5-trimethylhexan-1-ol
SMILESCC(C)(N)CC(C)(C)CCO
InChIInChI=1S/C9H21NO/c1-8(2,5-6-11)7-9(3,4)10/h11H,5-7,10H2,1-4H3
InChIKeyIQAYGYVVMIMRHY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds4

About 5-amino-3,3,5-trimethylhexan-1-ol

5-amino-3,3,5-trimethylhexan-1-ol (PubChem CID 23559315) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-amino-3,3,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name5-amino-3,3,5-trimethylhexan-1-ol
PubChem CID23559315
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-amino-3,3,5-trimethylhexan-1-ol
SMILESCC(C)(N)CC(C)(C)CCO
InChIInChI=1S/C9H21NO/c1-8(2,5-6-11)7-9(3,4)10/h11H,5-7,10H2,1-4H3
InChIKeyIQAYGYVVMIMRHY-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3,5-trimethylhexan-1-ol?
The IUPAC name of 5-amino-3,3,5-trimethylhexan-1-ol (CID 23559315) is 5-amino-3,3,5-trimethylhexan-1-ol.
What is the SMILES notation for 5-amino-3,3,5-trimethylhexan-1-ol?
The canonical SMILES for 5-amino-3,3,5-trimethylhexan-1-ol is CC(C)(N)CC(C)(C)CCO.
What is the InChIKey of 5-amino-3,3,5-trimethylhexan-1-ol?
The InChIKey is IQAYGYVVMIMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,5-6-11)7-9(3,4)10/h11H,5-7,10H2,1-4H3.
What are the key properties of 5-amino-3,3,5-trimethylhexan-1-ol?
5-amino-3,3,5-trimethylhexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3,5-trimethylhexan-1-ol is sourced from PubChem (CID 23559315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).