2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol

C8H15N3O — CID 66117228

IUPAC2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cncn1C
InChIInChI=1S/C8H15N3O/c1-7(5-12)10-4-8-3-9-6-11(8)2/h3,6-7,10,12H,4-5H2,1-2H3
InChIKeyYJJCQTLAKGQITC-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.11
Rot. Bonds4

About 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol

2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol (PubChem CID 66117228) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
PubChem CID66117228
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cncn1C
InChIInChI=1S/C8H15N3O/c1-7(5-12)10-4-8-3-9-6-11(8)2/h3,6-7,10,12H,4-5H2,1-2H3
InChIKeyYJJCQTLAKGQITC-UHFFFAOYSA-N
XLogP-0.11
TPSA50.08 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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103510869
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol (CID 66117228) is 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol is CC(CO)NCc1cncn1C.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is YJJCQTLAKGQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(5-12)10-4-8-3-9-6-11(8)2/h3,6-7,10,12H,4-5H2,1-2H3.
What are the key properties of 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol?
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66117228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).