4-amino-3-(3-methylimidazol-4-yl)butan-1-ol

C8H15N3O — CID 66118006

IUPAC4-amino-3-(3-methylimidazol-4-yl)butan-1-ol
SMILESCn1cncc1C(CN)CCO
InChIInChI=1S/C8H15N3O/c1-11-6-10-5-8(11)7(4-9)2-3-12/h5-7,12H,2-4,9H2,1H3
InChIKeyNLSOHYYDUQEOAJ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.16
Rot. Bonds4

About 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol

4-amino-3-(3-methylimidazol-4-yl)butan-1-ol (PubChem CID 66118006) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3-methylimidazol-4-yl)butan-1-ol
PubChem CID66118006
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-3-(3-methylimidazol-4-yl)butan-1-ol
SMILESCn1cncc1C(CN)CCO
InChIInChI=1S/C8H15N3O/c1-11-6-10-5-8(11)7(4-9)2-3-12/h5-7,12H,2-4,9H2,1H3
InChIKeyNLSOHYYDUQEOAJ-UHFFFAOYSA-N
XLogP-0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Histidinol
CID 165271
Histidinol
CID 776
3-(1H-imidazol-4-yl)propan-1-ol hydrochloride
CID 21715365
3-(1H-Imidazol-4-yl)propyl 2-methylpropyl ether
CID 10821309
L-Histidinol dihydrochloride
CID 197743
3-(1H-imidazol-4-yl)propan-1-ol
CID 572700
L-histidinol(1+)
CID 6950298
3-(1H-Imidazol-4-yl)propyl 3-methylbutyl ether
CID 10465285
DL-Histidinol Dihydrochloride
CID 356204
D-Histidinol
CID 736174
(R)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride
CID 12310525
3-(1-methyl-1H-imidazol-5-yl)propan-1-ol
CID 45087839

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol?
The IUPAC name of 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol (CID 66118006) is 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol is Cn1cncc1C(CN)CCO.
What is the InChIKey of 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol?
The InChIKey is NLSOHYYDUQEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-6-10-5-8(11)7(4-9)2-3-12/h5-7,12H,2-4,9H2,1H3.
What are the key properties of 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol?
4-amino-3-(3-methylimidazol-4-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 66118006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).