2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol

C17H38N2O — CID 62260681

IUPAC2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC(CC)(CC)CNC(C)C
InChIInChI=1S/C17H38N2O/c1-7-16(8-2)19(11-12-20)14-17(9-3,10-4)13-18-15(5)6/h15-16,18,20H,7-14H2,1-6H3
InChIKeyFPFXXRCLVICKHE-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.27
Rot. Bonds12

About 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol

2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol (PubChem CID 62260681) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol
PubChem CID62260681
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC(CC)(CC)CNC(C)C
InChIInChI=1S/C17H38N2O/c1-7-16(8-2)19(11-12-20)14-17(9-3,10-4)13-18-15(5)6/h15-16,18,20H,7-14H2,1-6H3
InChIKeyFPFXXRCLVICKHE-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol (CID 62260681) is 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CC(CC)(CC)CNC(C)C.
What is the InChIKey of 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol?
The InChIKey is FPFXXRCLVICKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-7-16(8-2)19(11-12-20)14-17(9-3,10-4)13-18-15(5)6/h15-16,18,20H,7-14H2,1-6H3.
What are the key properties of 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol?
2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol has a molecular weight of 286.50 g/mol, XLogP of 3.27, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62260681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).