N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine

C14H20N4O — CID 106569348

IUPACN-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(C)n1
InChIInChI=1S/C14H20N4O/c1-12-5-3-6-13(17-12)11-18-9-8-16-14(18)15-7-4-10-19-2/h3,5-6,8-9H,4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyHSQZCHLAZBNOCE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds7

About N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine

N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine (PubChem CID 106569348) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
PubChem CID106569348
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(C)n1
InChIInChI=1S/C14H20N4O/c1-12-5-3-6-13(17-12)11-18-9-8-16-14(18)15-7-4-10-19-2/h3,5-6,8-9H,4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyHSQZCHLAZBNOCE-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
1-(3-ethoxypropyl)-N-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569327

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine (CID 106569348) is N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine is COCCCNc1nccn1Cc1cccc(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine?
The InChIKey is HSQZCHLAZBNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12-5-3-6-13(17-12)11-18-9-8-16-14(18)15-7-4-10-19-2/h3,5-6,8-9H,4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106569348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).