N,4,4-trimethyloxolan-3-amine

C7H15NO — CID 126986517

IUPACN,4,4-trimethyloxolan-3-amine
SMILESCNC1COCC1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-6(7)8-3/h6,8H,4-5H2,1-3H3
InChIKeyGBACCBOQPZZSSE-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds1

About N,4,4-trimethyloxolan-3-amine

N,4,4-trimethyloxolan-3-amine (PubChem CID 126986517) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N,4,4-trimethyloxolan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyloxolan-3-amine
PubChem CID126986517
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN,4,4-trimethyloxolan-3-amine
SMILESCNC1COCC1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-6(7)8-3/h6,8H,4-5H2,1-3H3
InChIKeyGBACCBOQPZZSSE-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyloxolan-3-amine?
The IUPAC name of N,4,4-trimethyloxolan-3-amine (CID 126986517) is N,4,4-trimethyloxolan-3-amine.
What is the SMILES notation for N,4,4-trimethyloxolan-3-amine?
The canonical SMILES for N,4,4-trimethyloxolan-3-amine is CNC1COCC1(C)C.
What is the InChIKey of N,4,4-trimethyloxolan-3-amine?
The InChIKey is GBACCBOQPZZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-9-4-6(7)8-3/h6,8H,4-5H2,1-3H3.
What are the key properties of N,4,4-trimethyloxolan-3-amine?
N,4,4-trimethyloxolan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyloxolan-3-amine is sourced from PubChem (CID 126986517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).