N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine

C12H27NO — CID 62598656

IUPACN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine
SMILESCCC(CC)NCCOC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-6-11(7-2)13-9-10-14-12(4,5)8-3/h11,13H,6-10H2,1-5H3
InChIKeyWVYNKUBJUBUFBI-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine

N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine (PubChem CID 62598656) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine
PubChem CID62598656
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine
SMILESCCC(CC)NCCOC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-6-11(7-2)13-9-10-14-12(4,5)8-3/h11,13H,6-10H2,1-5H3
InChIKeyWVYNKUBJUBUFBI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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 N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine (CID 62598656) is N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine is CCC(CC)NCCOC(C)(C)CC.
What is the InChIKey of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine?
The InChIKey is WVYNKUBJUBUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-11(7-2)13-9-10-14-12(4,5)8-3/h11,13H,6-10H2,1-5H3.
What are the key properties of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine?
N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine is sourced from PubChem (CID 62598656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).