2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol

C16H36N2O — CID 62256428

IUPAC2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
SMILESCCCCN(CCO)CC(C)(CCC)CNC(C)C
InChIInChI=1S/C16H36N2O/c1-6-8-10-18(11-12-19)14-16(5,9-7-2)13-17-15(3)4/h15,17,19H,6-14H2,1-5H3
InChIKeySOFBDEYKBLFBSB-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.89
Rot. Bonds12

About 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol

2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol (PubChem CID 62256428) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
PubChem CID62256428
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
SMILESCCCCN(CCO)CC(C)(CCC)CNC(C)C
InChIInChI=1S/C16H36N2O/c1-6-8-10-18(11-12-19)14-16(5,9-7-2)13-17-15(3)4/h15,17,19H,6-14H2,1-5H3
InChIKeySOFBDEYKBLFBSB-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol (CID 62256428) is 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol is CCCCN(CCO)CC(C)(CCC)CNC(C)C.
What is the InChIKey of 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The InChIKey is SOFBDEYKBLFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-6-8-10-18(11-12-19)14-16(5,9-7-2)13-17-15(3)4/h15,17,19H,6-14H2,1-5H3.
What are the key properties of 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol has a molecular weight of 272.48 g/mol, XLogP of 2.89, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol is sourced from PubChem (CID 62256428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).