N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine

C12H27NO — CID 62597960

IUPACN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine
SMILESCCCCCNCCOC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-5-7-8-9-13-10-11-14-12(3,4)6-2/h13H,5-11H2,1-4H3
InChIKeyIXYLHBLSAMIZLR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine

N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine (PubChem CID 62597960) 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-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine
PubChem CID62597960
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine
SMILESCCCCCNCCOC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-5-7-8-9-13-10-11-14-12(3,4)6-2/h13H,5-11H2,1-4H3
InChIKeyIXYLHBLSAMIZLR-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
CID 62597446
2-(pentylamino)ethyl dihydrogen phosphate
CID 87921283
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-hexyltridecan-1-amine
CID 87659278
N-pentylpentan-1-amine;hydrochloride
CID 520044
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine (CID 62597960) is N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine is CCCCCNCCOC(C)(C)CC.
What is the InChIKey of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine?
The InChIKey is IXYLHBLSAMIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-9-13-10-11-14-12(3,4)6-2/h13H,5-11H2,1-4H3.
What are the key properties of N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine?
N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 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-1-amine is sourced from PubChem (CID 62597960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).