1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine

C14H20N4O — CID 106721303

IUPAC1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cccc(OC)n2)cn1
InChIInChI=1S/C14H20N4O/c1-3-11(15)7-13-9-18(10-16-13)8-12-5-4-6-14(17-12)19-2/h4-6,9-11H,3,7-8,15H2,1-2H3
InChIKeySKUSACKAQHHSLE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.61
Rot. Bonds6

About 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine

1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721303) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
PubChem CID106721303
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cccc(OC)n2)cn1
InChIInChI=1S/C14H20N4O/c1-3-11(15)7-13-9-18(10-16-13)8-12-5-4-6-14(17-12)19-2/h4-6,9-11H,3,7-8,15H2,1-2H3
InChIKeySKUSACKAQHHSLE-UHFFFAOYSA-N
XLogP1.61
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine (CID 106721303) is 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2cccc(OC)n2)cn1.
What is the InChIKey of 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The InChIKey is SKUSACKAQHHSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-11(15)7-13-9-18(10-16-13)8-12-5-4-6-14(17-12)19-2/h4-6,9-11H,3,7-8,15H2,1-2H3.
What are the key properties of 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).