1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol

C13H26N4O — CID 114169123

IUPAC1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cnc(N(C)C)n1C
InChIInChI=1S/C13H26N4O/c1-6-7-13(2,18)10-14-8-11-9-15-12(16(3)4)17(11)5/h9,14,18H,6-8,10H2,1-5H3
InChIKeyPYQQRXPQQXUCGF-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.13
Rot. Bonds7

About 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol

1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol (PubChem CID 114169123) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
PubChem CID114169123
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cnc(N(C)C)n1C
InChIInChI=1S/C13H26N4O/c1-6-7-13(2,18)10-14-8-11-9-15-12(16(3)4)17(11)5/h9,14,18H,6-8,10H2,1-5H3
InChIKeyPYQQRXPQQXUCGF-UHFFFAOYSA-N
XLogP1.13
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
3-[({[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}amino)methyl]piperidin-3-ol
CID 70770604
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
(3R,4R)-1-[(3-cyclohexylimidazol-4-yl)methyl]-3,4-dimethylpyrrolidin-3-ol
CID 86283114
1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 119110237
1-{2-[[(1,2-dimethyl-1H-imidazol-5-yl)methyl](methyl)amino]ethyl}cyclopentanol
CID 129624712
4-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1-methylcyclohexan-1-ol
CID 137997809
3-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1-difluoropropan-2-ol
CID 105644015
1-[(3-Methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339909
3-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093112

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol (CID 114169123) is 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1cnc(N(C)C)n1C.
What is the InChIKey of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol?
The InChIKey is PYQQRXPQQXUCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-7-13(2,18)10-14-8-11-9-15-12(16(3)4)17(11)5/h9,14,18H,6-8,10H2,1-5H3.
What are the key properties of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol?
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).