4-methoxy-2,3-dimethyl-N-propylbutan-1-amine

C10H23NO — CID 81016349

IUPAC4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)COC
InChIInChI=1S/C10H23NO/c1-5-6-11-7-9(2)10(3)8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyJTNBHHFSZBHIHJ-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.90
Rot. Bonds7

About 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine

4-methoxy-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 81016349) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID81016349
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)COC
InChIInChI=1S/C10H23NO/c1-5-6-11-7-9(2)10(3)8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyJTNBHHFSZBHIHJ-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine (CID 81016349) is 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)C(C)COC.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is JTNBHHFSZBHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-6-11-7-9(2)10(3)8-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine?
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 81016349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).