2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol

C10H20N4O — CID 64792480

IUPAC2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
SMILESCN(CCC(N)CO)Cc1nccn1C
InChIInChI=1S/C10H20N4O/c1-13(5-3-9(11)8-15)7-10-12-4-6-14(10)2/h4,6,9,15H,3,5,7-8,11H2,1-2H3
InChIKeyWKBSLRXILGREBE-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.44
Rot. Bonds6

About 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol

2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol (PubChem CID 64792480) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
PubChem CID64792480
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
SMILESCN(CCC(N)CO)Cc1nccn1C
InChIInChI=1S/C10H20N4O/c1-13(5-3-9(11)8-15)7-10-12-4-6-14(10)2/h4,6,9,15H,3,5,7-8,11H2,1-2H3
InChIKeyWKBSLRXILGREBE-UHFFFAOYSA-N
XLogP-0.44
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025487
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol?
The IUPAC name of 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol (CID 64792480) is 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol is CN(CCC(N)CO)Cc1nccn1C.
What is the InChIKey of 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol?
The InChIKey is WKBSLRXILGREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-13(5-3-9(11)8-15)7-10-12-4-6-14(10)2/h4,6,9,15H,3,5,7-8,11H2,1-2H3.
What are the key properties of 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol?
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol has a molecular weight of 212.30 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 64792480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).