3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol

C13H25N3O — CID 111107299

IUPAC3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCn1ccnc1CN(CCCO)CC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)11-16(7-5-9-17)10-12-14-6-8-15(12)4/h6,8,17H,5,7,9-11H2,1-4H3
InChIKeyREENAYZYKSDCOD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds6

About 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol

3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 111107299) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
PubChem CID111107299
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCn1ccnc1CN(CCCO)CC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)11-16(7-5-9-17)10-12-14-6-8-15(12)4/h6,8,17H,5,7,9-11H2,1-4H3
InChIKeyREENAYZYKSDCOD-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 91842946
(2S)-2-amino-6-[bis[(1-methylimidazol-2-yl)methyl]amino]hexanoic acid
CID 46218953
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 56857963
1-[2-[bis[(1-methylimidazol-2-yl)methyl]amino]ethyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 66810197
2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 91759618
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
3-(1-methylimidazol-2-yl)propan-1-ol;trifluoromethanesulfonic acid
CID 174876440
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol (CID 111107299) is 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol is Cn1ccnc1CN(CCCO)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is REENAYZYKSDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)11-16(7-5-9-17)10-12-14-6-8-15(12)4/h6,8,17H,5,7,9-11H2,1-4H3.
What are the key properties of 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111107299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).