2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol

C12H26N2O — CID 66455172

IUPAC2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
SMILESCNC(C)C(C)(C)CN(CCO)C1CC1
InChIInChI=1S/C12H26N2O/c1-10(13-4)12(2,3)9-14(7-8-15)11-5-6-11/h10-11,13,15H,5-9H2,1-4H3
InChIKeyBIKKISZBLOERIB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds7

About 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol

2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol (PubChem CID 66455172) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
PubChem CID66455172
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
SMILESCNC(C)C(C)(C)CN(CCO)C1CC1
InChIInChI=1S/C12H26N2O/c1-10(13-4)12(2,3)9-14(7-8-15)11-5-6-11/h10-11,13,15H,5-9H2,1-4H3
InChIKeyBIKKISZBLOERIB-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol (CID 66455172) is 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol is CNC(C)C(C)(C)CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol?
The InChIKey is BIKKISZBLOERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(13-4)12(2,3)9-14(7-8-15)11-5-6-11/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol?
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol is sourced from PubChem (CID 66455172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).