(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

Analyze (5-amino-2,2-dimethyloxan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,2-dimethyloxan-4-ol
CID 123616838
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
CID 139541071
4,5,5-trimethyloxolan-3-amine
CID 175604561
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359775
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460

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).