2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

C11H21N3O — CID 66130085

IUPAC2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cncn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3
InChIKeyFFXRLBQUASDPDC-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds6

About 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (PubChem CID 66130085) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
PubChem CID66130085
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cncn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3
InChIKeyFFXRLBQUASDPDC-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
CID 66162579
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
1-propan-2-yl-5-propylimidazole
CID 139308338

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (CID 66130085) is 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is CCC(CO)NCc1cncn1C(C)C.
What is the InChIKey of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FFXRLBQUASDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3.
What are the key properties of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 66130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).