2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol

C8H15NO — CID 162763889

IUPAC2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol
SMILESCC(CO)C12CC(N)(C1)C2
InChIInChI=1S/C8H15NO/c1-6(2-10)7-3-8(9,4-7)5-7/h6,10H,2-5,9H2,1H3
InChIKeyLQTADABFBTXWAP-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol

2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol (PubChem CID 162763889) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol
PubChem CID162763889
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol
SMILESCC(CO)C12CC(N)(C1)C2
InChIInChI=1S/C8H15NO/c1-6(2-10)7-3-8(9,4-7)5-7/h6,10H,2-5,9H2,1H3
InChIKeyLQTADABFBTXWAP-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxetan-3-yl)bicyclo(1.1.1)pentan-1-amine
CID 163342298
3-(2-Methoxyethyl)bicyclo[1.1.1]pentan-1-amine
CID 137942376
5-Amino-3,3,5-trimethylhexan-1-ol
CID 23559315
2-(4-Amino-2,4-dimethylpentan-2-yl)propane-1,3-diol
CID 170645693
2-{3-Aminobicyclo[1.1.1]pentan-1-yl}ethan-1-ol
CID 171035131
1-(3-Amino-1-bicyclo[1.1.1]pentanyl)propan-2-ol;hydrochloride
CID 176089481
(3-Amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol
CID 176650868
(3-Amino-1-methyl-3-propan-2-ylcyclobutyl)methanol
CID 176651202
5-Amino-4-ethyl-5-methylhexan-1-ol
CID 19774835
2-[1-(2-Aminopropan-2-yl)-3-methylcyclobutyl]ethanol
CID 103565434
(1-Amino-3-tert-butylcyclobutyl)methanol;hydrochloride
CID 155858739
(1-Amino-3-tert-butylcyclobutyl)methanol
CID 155858740

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol?
The IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol (CID 162763889) is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol.
What is the SMILES notation for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol?
The canonical SMILES for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol is CC(CO)C12CC(N)(C1)C2.
What is the InChIKey of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol?
The InChIKey is LQTADABFBTXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2-10)7-3-8(9,4-7)5-7/h6,10H,2-5,9H2,1H3.
What are the key properties of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol?
2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)propan-1-ol is sourced from PubChem (CID 162763889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).