3-methoxy-3-methylpentan-2-amine

C7H17NO — CID 116757359

IUPAC3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(C)N
InChIInChI=1S/C7H17NO/c1-5-7(3,9-4)6(2)8/h6H,5,8H2,1-4H3
InChIKeyJXNTXPIGCBMQDQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds3

About 3-methoxy-3-methylpentan-2-amine

3-methoxy-3-methylpentan-2-amine (PubChem CID 116757359) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methylpentan-2-amine
PubChem CID116757359
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(C)N
InChIInChI=1S/C7H17NO/c1-5-7(3,9-4)6(2)8/h6H,5,8H2,1-4H3
InChIKeyJXNTXPIGCBMQDQ-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 3-methoxy-3-methylpentan-2-amine (CID 116757359) is 3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 3-methoxy-3-methylpentan-2-amine is CCC(C)(OC)C(C)N.
What is the InChIKey of 3-methoxy-3-methylpentan-2-amine?
The InChIKey is JXNTXPIGCBMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(3,9-4)6(2)8/h6H,5,8H2,1-4H3.
What are the key properties of 3-methoxy-3-methylpentan-2-amine?
3-methoxy-3-methylpentan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116757359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).