4-methoxy-4-methylpentan-1-amine

C7H17NO — CID 59124840

IUPAC4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCCN
InChIInChI=1S/C7H17NO/c1-7(2,9-3)5-4-6-8/h4-6,8H2,1-3H3
InChIKeyGKXFHAJFAKDPBO-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds4

About 4-methoxy-4-methylpentan-1-amine

4-methoxy-4-methylpentan-1-amine (PubChem CID 59124840) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methylpentan-1-amine
PubChem CID59124840
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCCN
InChIInChI=1S/C7H17NO/c1-7(2,9-3)5-4-6-8/h4-6,8H2,1-3H3
InChIKeyGKXFHAJFAKDPBO-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methylpentan-1-amine (CID 59124840) is 4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCCN.
What is the InChIKey of 4-methoxy-4-methylpentan-1-amine?
The InChIKey is GKXFHAJFAKDPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,9-3)5-4-6-8/h4-6,8H2,1-3H3.
What are the key properties of 4-methoxy-4-methylpentan-1-amine?
4-methoxy-4-methylpentan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 59124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).