4-imidazol-1-yl-3-(methylamino)butan-1-ol

C8H15N3O — CID 64900351

IUPAC4-imidazol-1-yl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)Cn1ccnc1
InChIInChI=1S/C8H15N3O/c1-9-8(2-5-12)6-11-4-3-10-7-11/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyIPVKUWNFYNCXDU-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.15
Rot. Bonds5

About 4-imidazol-1-yl-3-(methylamino)butan-1-ol

4-imidazol-1-yl-3-(methylamino)butan-1-ol (PubChem CID 64900351) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-imidazol-1-yl-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-3-(methylamino)butan-1-ol
PubChem CID64900351
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-imidazol-1-yl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)Cn1ccnc1
InChIInChI=1S/C8H15N3O/c1-9-8(2-5-12)6-11-4-3-10-7-11/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyIPVKUWNFYNCXDU-UHFFFAOYSA-N
XLogP-0.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-imidazol-1-yl-3-methylbutan-2-ol
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(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
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2-imidazol-1-ylethanol
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2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
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1-(2-methylbutyl)imidazole
CID 59161437

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-3-(methylamino)butan-1-ol?
The IUPAC name of 4-imidazol-1-yl-3-(methylamino)butan-1-ol (CID 64900351) is 4-imidazol-1-yl-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-imidazol-1-yl-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-imidazol-1-yl-3-(methylamino)butan-1-ol is CNC(CCO)Cn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-3-(methylamino)butan-1-ol?
The InChIKey is IPVKUWNFYNCXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-8(2-5-12)6-11-4-3-10-7-11/h3-4,7-9,12H,2,5-6H2,1H3.
What are the key properties of 4-imidazol-1-yl-3-(methylamino)butan-1-ol?
4-imidazol-1-yl-3-(methylamino)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64900351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).