3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol

C7H13N3O — CID 106717943

IUPAC3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
SMILESNCc1cn(CCCO)cn1
InChIInChI=1S/C7H13N3O/c8-4-7-5-10(6-9-7)2-1-3-11/h5-6,11H,1-4,8H2
InChIKeyHQBHPWXPCOZWJJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds4

About 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol

3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol (PubChem CID 106717943) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
PubChem CID106717943
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
SMILESNCc1cn(CCCO)cn1
InChIInChI=1S/C7H13N3O/c8-4-7-5-10(6-9-7)2-1-3-11/h5-6,11H,1-4,8H2
InChIKeyHQBHPWXPCOZWJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butylimidazol-4-yl)methanamine
CID 82467842
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
(1-pentylimidazol-4-yl)methanol
CID 11147952
[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
CID 106718060
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
CID 107706775
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol (CID 106717943) is 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol is NCc1cn(CCCO)cn1.
What is the InChIKey of 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol?
The InChIKey is HQBHPWXPCOZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-4-7-5-10(6-9-7)2-1-3-11/h5-6,11H,1-4,8H2.
What are the key properties of 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol?
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 106717943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).