2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine

C15H34N2O2 — CID 166723413

IUPAC2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine
SMILESCCCCCOC(C)C(C)(N)C(C)OC(C)(N)CC
InChIInChI=1S/C15H34N2O2/c1-7-9-10-11-18-12(3)15(6,17)13(4)19-14(5,16)8-2/h12-13H,7-11,16-17H2,1-6H3
InChIKeyURMIFLSRFLOPFO-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.79
Rot. Bonds10

About 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine

2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine (PubChem CID 166723413) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine.

Molecular Properties

Compound Name2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine
PubChem CID166723413
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine
SMILESCCCCCOC(C)C(C)(N)C(C)OC(C)(N)CC
InChIInChI=1S/C15H34N2O2/c1-7-9-10-11-18-12(3)15(6,17)13(4)19-14(5,16)8-2/h12-13H,7-11,16-17H2,1-6H3
InChIKeyURMIFLSRFLOPFO-UHFFFAOYSA-N
XLogP2.79
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352
1-pentoxyethanamine
CID 57262541
2,2-dimethyl-3-pentoxypentane
CID 23119504
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
N,N-dimethyl-2,3-dioctoxybutan-2-amine
CID 141320340
2-octoxypentan-3-amine
CID 43127877
5-amino-2,3-dihexadecoxy-5-methylhexan-1-ol
CID 87133605
3-pentoxybutan-2-amine
CID 61352378
1-octoxypropylarsane
CID 173268691
1-amino-1-octoxypropan-2-ol
CID 174604466
2-(2-bromoethoxy)-3-methylnonadecan-3-amine;hydrobromide
CID 173358228
tert-butyl 2-heptoxypropanoate
CID 66337184

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine?
The IUPAC name of 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine (CID 166723413) is 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine.
What is the SMILES notation for 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine?
The canonical SMILES for 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine is CCCCCOC(C)C(C)(N)C(C)OC(C)(N)CC.
What is the InChIKey of 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine?
The InChIKey is URMIFLSRFLOPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-7-9-10-11-18-12(3)15(6,17)13(4)19-14(5,16)8-2/h12-13H,7-11,16-17H2,1-6H3.
What are the key properties of 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine?
2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine has a molecular weight of 274.45 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yloxy)-3-methyl-4-pentoxypentan-3-amine is sourced from PubChem (CID 166723413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).