1-amino-3,3,5-trimethylhexan-2-ol

C9H21NO — CID 83694806

IUPAC1-amino-3,3,5-trimethylhexan-2-ol
SMILESCC(C)CC(C)(C)C(O)CN
InChIInChI=1S/C9H21NO/c1-7(2)5-9(3,4)8(11)6-10/h7-8,11H,5-6,10H2,1-4H3
InChIKeyNDCKDJHHBMYIJC-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds4

About 1-amino-3,3,5-trimethylhexan-2-ol

1-amino-3,3,5-trimethylhexan-2-ol (PubChem CID 83694806) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-amino-3,3,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-amino-3,3,5-trimethylhexan-2-ol
PubChem CID83694806
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-amino-3,3,5-trimethylhexan-2-ol
SMILESCC(C)CC(C)(C)C(O)CN
InChIInChI=1S/C9H21NO/c1-7(2)5-9(3,4)8(11)6-10/h7-8,11H,5-6,10H2,1-4H3
InChIKeyNDCKDJHHBMYIJC-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3,5-trimethylhexan-2-ol?
The IUPAC name of 1-amino-3,3,5-trimethylhexan-2-ol (CID 83694806) is 1-amino-3,3,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-amino-3,3,5-trimethylhexan-2-ol?
The canonical SMILES for 1-amino-3,3,5-trimethylhexan-2-ol is CC(C)CC(C)(C)C(O)CN.
What is the InChIKey of 1-amino-3,3,5-trimethylhexan-2-ol?
The InChIKey is NDCKDJHHBMYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)5-9(3,4)8(11)6-10/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 1-amino-3,3,5-trimethylhexan-2-ol?
1-amino-3,3,5-trimethylhexan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3,5-trimethylhexan-2-ol is sourced from PubChem (CID 83694806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).