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

C9H17N3O — CID 66141772

IUPAC1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1cncn1C
InChIInChI=1S/C9H17N3O/c1-8(13)5-11(2)6-9-4-10-7-12(9)3/h4,7-8,13H,5-6H2,1-3H3
InChIKeyXWPNXMQZWOKUAH-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.23
Rot. Bonds4

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

1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 66141772) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
PubChem CID66141772
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1cncn1C
InChIInChI=1S/C9H17N3O/c1-8(13)5-11(2)6-9-4-10-7-12(9)3/h4,7-8,13H,5-6H2,1-3H3
InChIKeyXWPNXMQZWOKUAH-UHFFFAOYSA-N
XLogP0.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol (CID 66141772) is 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol is CC(O)CN(C)Cc1cncn1C.
What is the InChIKey of 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is XWPNXMQZWOKUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(13)5-11(2)6-9-4-10-7-12(9)3/h4,7-8,13H,5-6H2,1-3H3.
What are the key properties of 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol?
1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 66141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).