5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol

C15H34N2O — CID 107204559

IUPAC5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
SMILESCCCNC(C)C(C)(C)CN(C)CCCCCO
InChIInChI=1S/C15H34N2O/c1-6-10-16-14(2)15(3,4)13-17(5)11-8-7-9-12-18/h14,16,18H,6-13H2,1-5H3
InChIKeyMIEHPKWPTMMLDZ-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.50
Rot. Bonds11

About 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol

5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol (PubChem CID 107204559) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
PubChem CID107204559
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
SMILESCCCNC(C)C(C)(C)CN(C)CCCCCO
InChIInChI=1S/C15H34N2O/c1-6-10-16-14(2)15(3,4)13-17(5)11-8-7-9-12-18/h14,16,18H,6-13H2,1-5H3
InChIKeyMIEHPKWPTMMLDZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol (CID 107204559) is 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol is CCCNC(C)C(C)(C)CN(C)CCCCCO.
What is the InChIKey of 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol?
The InChIKey is MIEHPKWPTMMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-6-10-16-14(2)15(3,4)13-17(5)11-8-7-9-12-18/h14,16,18H,6-13H2,1-5H3.
What are the key properties of 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol?
5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107204559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).