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

C11H21N3O — CID 164629868

IUPAC(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC[C@@](C)(CCO)NCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-11(2,5-8-15)13-9-10-12-6-7-14(10)3/h6-7,13,15H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyZCEREFXDOPLKLR-NSHDSACASA-N
MW211.31 g/mol
LogP1.06
Rot. Bonds6

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

(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol (PubChem CID 164629868) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
PubChem CID164629868
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC[C@@](C)(CCO)NCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-11(2,5-8-15)13-9-10-12-6-7-14(10)3/h6-7,13,15H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyZCEREFXDOPLKLR-NSHDSACASA-N
XLogP1.06
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 ≤ 51.06
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
(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
CID 101415591
N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine
CID 103034948
N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine
CID 103034949
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol (CID 164629868) is (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol is CC[C@@](C)(CCO)NCc1nccn1C.
What is the InChIKey of (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The InChIKey is ZCEREFXDOPLKLR-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(2,5-8-15)13-9-10-12-6-7-14(10)3/h6-7,13,15H,4-5,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 164629868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).