(5-amino-2,2-dimethyloxan-4-yl)methanol

C8H17NO2 — CID 162343129

IUPAC(5-amino-2,2-dimethyloxan-4-yl)methanol
SMILESCC1(C)CC(CO)C(N)CO1
InChIInChI=1S/C8H17NO2/c1-8(2)3-6(4-10)7(9)5-11-8/h6-7,10H,3-5,9H2,1-2H3
InChIKeyBJBLQGOGPCVFKZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.12
Rot. Bonds1

About (5-amino-2,2-dimethyloxan-4-yl)methanol

(5-amino-2,2-dimethyloxan-4-yl)methanol (PubChem CID 162343129) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (5-amino-2,2-dimethyloxan-4-yl)methanol.

Molecular Properties

Compound Name(5-amino-2,2-dimethyloxan-4-yl)methanol
PubChem CID162343129
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(5-amino-2,2-dimethyloxan-4-yl)methanol
SMILESCC1(C)CC(CO)C(N)CO1
InChIInChI=1S/C8H17NO2/c1-8(2)3-6(4-10)7(9)5-11-8/h6-7,10H,3-5,9H2,1-2H3
InChIKeyBJBLQGOGPCVFKZ-UHFFFAOYSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,2-dimethyloxan-4-yl)methanol?
The IUPAC name of (5-amino-2,2-dimethyloxan-4-yl)methanol (CID 162343129) is (5-amino-2,2-dimethyloxan-4-yl)methanol.
What is the SMILES notation for (5-amino-2,2-dimethyloxan-4-yl)methanol?
The canonical SMILES for (5-amino-2,2-dimethyloxan-4-yl)methanol is CC1(C)CC(CO)C(N)CO1.
What is the InChIKey of (5-amino-2,2-dimethyloxan-4-yl)methanol?
The InChIKey is BJBLQGOGPCVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)3-6(4-10)7(9)5-11-8/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of (5-amino-2,2-dimethyloxan-4-yl)methanol?
(5-amino-2,2-dimethyloxan-4-yl)methanol has a molecular weight of 159.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,2-dimethyloxan-4-yl)methanol is sourced from PubChem (CID 162343129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).