N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine

C14H20N4O — CID 106582260

IUPACN-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1ccncc1C
InChIInChI=1S/C14H20N4O/c1-12-10-15-6-4-13(12)11-18-8-7-17-14(18)16-5-3-9-19-2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17)
InChIKeyBHTUMQCSRWSVLS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds7

About N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine

N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine (PubChem CID 106582260) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
PubChem CID106582260
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1ccncc1C
InChIInChI=1S/C14H20N4O/c1-12-10-15-6-4-13(12)11-18-8-7-17-14(18)16-5-3-9-19-2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17)
InChIKeyBHTUMQCSRWSVLS-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

1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-methyl-1-[(4-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106583356
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699568
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine (CID 106582260) is N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine is COCCCNc1nccn1Cc1ccncc1C.
What is the InChIKey of N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine?
The InChIKey is BHTUMQCSRWSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12-10-15-6-4-13(12)11-18-8-7-17-14(18)16-5-3-9-19-2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[(3-methyl-4-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-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106582260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).