3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol

C12H23N3O — CID 106175493

IUPAC3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCCn1ccnc1C
InChIInChI=1S/C12H23N3O/c1-4-12(3,5-10-16)14-7-9-15-8-6-13-11(15)2/h6,8,14,16H,4-5,7,9-10H2,1-3H3
InChIKeySEGHYFBXNRCFEX-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.33
Rot. Bonds7

About 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol

3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (PubChem CID 106175493) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
PubChem CID106175493
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCCn1ccnc1C
InChIInChI=1S/C12H23N3O/c1-4-12(3,5-10-16)14-7-9-15-8-6-13-11(15)2/h6,8,14,16H,4-5,7,9-10H2,1-3H3
InChIKeySEGHYFBXNRCFEX-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2-dimethyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 121552300
1-(3-Ethylpentan-3-yl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 72114331
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
CID 164629868
(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
CID 101415591
1,2-Dimethyl-3-(3-hydroxypropyl) imidazolium bromide
CID 129830255
3-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol
CID 43416431
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 43416485
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-2-ethylbutan-1-ol
CID 55082156
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
CID 61246140
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (CID 106175493) is 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is CCC(C)(CCO)NCCn1ccnc1C.
What is the InChIKey of 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The InChIKey is SEGHYFBXNRCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(3,5-10-16)14-7-9-15-8-6-13-11(15)2/h6,8,14,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 106175493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).