2-(2-methylpentoxy)-N-propylbutan-1-amine

C13H29NO — CID 103285571

IUPAC2-(2-methylpentoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCC(C)CCC
InChIInChI=1S/C13H29NO/c1-5-8-12(4)11-15-13(7-3)10-14-9-6-2/h12-14H,5-11H2,1-4H3
InChIKeyNUEYDOAAYQSHGT-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About 2-(2-methylpentoxy)-N-propylbutan-1-amine

2-(2-methylpentoxy)-N-propylbutan-1-amine (PubChem CID 103285571) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-N-propylbutan-1-amine
PubChem CID103285571
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(2-methylpentoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCC(C)CCC
InChIInChI=1S/C13H29NO/c1-5-8-12(4)11-15-13(7-3)10-14-9-6-2/h12-14H,5-11H2,1-4H3
InChIKeyNUEYDOAAYQSHGT-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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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Related Compounds

2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382
2-methoxy-N-propylbutan-1-amine
CID 62446369
3-methyl-4-propan-2-yloxy-N-propylbutan-1-amine
CID 81019972
N-[2-(2-methylpentoxy)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103285227
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
N-[2-(2-methylpentoxy)propyl]butan-2-amine
CID 103285813
N-[3-methoxy-2-(2-methylpentoxy)propyl]-2-methylpropan-2-amine
CID 103285718
2-methyl-1-pentan-3-yloxybutane
CID 23377308
1-(2-methylpentoxy)ethanol
CID 173285010
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-(2-methylpentoxy)-N-propylbutan-1-amine (CID 103285571) is 2-(2-methylpentoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-methylpentoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-methylpentoxy)-N-propylbutan-1-amine is CCCNCC(CC)OCC(C)CCC.
What is the InChIKey of 2-(2-methylpentoxy)-N-propylbutan-1-amine?
The InChIKey is NUEYDOAAYQSHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-8-12(4)11-15-13(7-3)10-14-9-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-(2-methylpentoxy)-N-propylbutan-1-amine?
2-(2-methylpentoxy)-N-propylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 103285571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).