2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol

C13H26N4O — CID 122571573

IUPAC2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol
SMILESCC(CN(C)CCO)NCc1nccn1C(C)C
InChIInChI=1S/C13H26N4O/c1-11(2)17-6-5-14-13(17)9-15-12(3)10-16(4)7-8-18/h5-6,11-12,15,18H,7-10H2,1-4H3
InChIKeyYRAUUHOAQNQHPN-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.87
Rot. Bonds8

About 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol

2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol (PubChem CID 122571573) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol
PubChem CID122571573
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol
SMILESCC(CN(C)CCO)NCc1nccn1C(C)C
InChIInChI=1S/C13H26N4O/c1-11(2)17-6-5-14-13(17)9-15-12(3)10-16(4)7-8-18/h5-6,11-12,15,18H,7-10H2,1-4H3
InChIKeyYRAUUHOAQNQHPN-UHFFFAOYSA-N
XLogP0.87
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
N-[(2R)-2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443200
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanoic acid
CID 62221450
(2S)-3-methyl-1-morpholin-4-yl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-one
CID 97334466
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 72905357
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol (CID 122571573) is 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol is CC(CN(C)CCO)NCc1nccn1C(C)C.
What is the InChIKey of 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol?
The InChIKey is YRAUUHOAQNQHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)17-6-5-14-13(17)9-15-12(3)10-16(4)7-8-18/h5-6,11-12,15,18H,7-10H2,1-4H3.
What are the key properties of 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol?
2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol has a molecular weight of 254.38 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol is sourced from PubChem (CID 122571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).