1-methoxy-4-methylpentan-3-amine

C7H17NO — CID 61412871

IUPAC1-methoxy-4-methylpentan-3-amine
SMILESCOCCC(N)C(C)C
InChIInChI=1S/C7H17NO/c1-6(2)7(8)4-5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyCXXJHGDHEXDWPQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About 1-methoxy-4-methylpentan-3-amine

1-methoxy-4-methylpentan-3-amine (PubChem CID 61412871) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4-methylpentan-3-amine
PubChem CID61412871
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-methoxy-4-methylpentan-3-amine
SMILESCOCCC(N)C(C)C
InChIInChI=1S/C7H17NO/c1-6(2)7(8)4-5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyCXXJHGDHEXDWPQ-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 1-methoxy-4-methylpentan-3-amine?
The IUPAC name of 1-methoxy-4-methylpentan-3-amine (CID 61412871) is 1-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for 1-methoxy-4-methylpentan-3-amine?
The canonical SMILES for 1-methoxy-4-methylpentan-3-amine is COCCC(N)C(C)C.
What is the InChIKey of 1-methoxy-4-methylpentan-3-amine?
The InChIKey is CXXJHGDHEXDWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)7(8)4-5-9-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-methoxy-4-methylpentan-3-amine?
1-methoxy-4-methylpentan-3-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 1-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 61412871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).