3-(methoxymethyl)pentan-2-amine

C7H17NO — CID 66437856

IUPAC3-(methoxymethyl)pentan-2-amine
SMILESCCC(COC)C(C)N
InChIInChI=1S/C7H17NO/c1-4-7(5-9-3)6(2)8/h6-7H,4-5,8H2,1-3H3
InChIKeyOUITVVLOQPBBDS-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About 3-(methoxymethyl)pentan-2-amine

3-(methoxymethyl)pentan-2-amine (PubChem CID 66437856) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-(methoxymethyl)pentan-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)pentan-2-amine
PubChem CID66437856
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-(methoxymethyl)pentan-2-amine
SMILESCCC(COC)C(C)N
InChIInChI=1S/C7H17NO/c1-4-7(5-9-3)6(2)8/h6-7H,4-5,8H2,1-3H3
InChIKeyOUITVVLOQPBBDS-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pentan-2-amine?
The IUPAC name of 3-(methoxymethyl)pentan-2-amine (CID 66437856) is 3-(methoxymethyl)pentan-2-amine.
What is the SMILES notation for 3-(methoxymethyl)pentan-2-amine?
The canonical SMILES for 3-(methoxymethyl)pentan-2-amine is CCC(COC)C(C)N.
What is the InChIKey of 3-(methoxymethyl)pentan-2-amine?
The InChIKey is OUITVVLOQPBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(5-9-3)6(2)8/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 3-(methoxymethyl)pentan-2-amine?
3-(methoxymethyl)pentan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pentan-2-amine is sourced from PubChem (CID 66437856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).