3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol

C10H21NO2 — CID 82838794

IUPAC3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(C(O)C(C)(C)CN)O1
InChIInChI=1S/C10H21NO2/c1-7-4-5-8(13-7)9(12)10(2,3)6-11/h7-9,12H,4-6,11H2,1-3H3
InChIKeyAPASMPMRXNILHK-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol

3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol (PubChem CID 82838794) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol
PubChem CID82838794
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(C(O)C(C)(C)CN)O1
InChIInChI=1S/C10H21NO2/c1-7-4-5-8(13-7)9(12)10(2,3)6-11/h7-9,12H,4-6,11H2,1-3H3
InChIKeyAPASMPMRXNILHK-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol (CID 82838794) is 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol is CC1CCC(C(O)C(C)(C)CN)O1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol?
The InChIKey is APASMPMRXNILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7-4-5-8(13-7)9(12)10(2,3)6-11/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol?
3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 82838794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).