2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol

C15H32N2O — CID 102870900

IUPAC2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
SMILESCCCNC(C)C(C)(C)CN(CCO)C1CCC1
InChIInChI=1S/C15H32N2O/c1-5-9-16-13(2)15(3,4)12-17(10-11-18)14-7-6-8-14/h13-14,16,18H,5-12H2,1-4H3
InChIKeyIRJUGQMJNJDHFQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds9

About 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol

2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol (PubChem CID 102870900) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
PubChem CID102870900
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
SMILESCCCNC(C)C(C)(C)CN(CCO)C1CCC1
InChIInChI=1S/C15H32N2O/c1-5-9-16-13(2)15(3,4)12-17(10-11-18)14-7-6-8-14/h13-14,16,18H,5-12H2,1-4H3
InChIKeyIRJUGQMJNJDHFQ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
CID 114274826
2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 62622852
5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
CID 107204559
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine
CID 66453834

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol (CID 102870900) is 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol is CCCNC(C)C(C)(C)CN(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The InChIKey is IRJUGQMJNJDHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-16-13(2)15(3,4)12-17(10-11-18)14-7-6-8-14/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol is sourced from PubChem (CID 102870900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).