N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine

C13H18N4O — CID 119126182

IUPACN-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1ccc(CNCc2ncc[nH]2)cn1
InChIInChI=1S/C13H18N4O/c1-2-7-18-13-4-3-11(9-17-13)8-14-10-12-15-5-6-16-12/h3-6,9,14H,2,7-8,10H2,1H3,(H,15,16)
InChIKeyXEDSSCXQXKHAGP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine (PubChem CID 119126182) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine
PubChem CID119126182
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1ccc(CNCc2ncc[nH]2)cn1
InChIInChI=1S/C13H18N4O/c1-2-7-18-13-4-3-11(9-17-13)8-14-10-12-15-5-6-16-12/h3-6,9,14H,2,7-8,10H2,1H3,(H,15,16)
InChIKeyXEDSSCXQXKHAGP-UHFFFAOYSA-N
XLogP1.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide
CID 119111097
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001959
1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 119125622
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
2-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63821073
N-(1H-imidazol-2-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 23079310
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111548373
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine (CID 119126182) is N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine is CCCOc1ccc(CNCc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine?
The InChIKey is XEDSSCXQXKHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-7-18-13-4-3-11(9-17-13)8-14-10-12-15-5-6-16-12/h3-6,9,14H,2,7-8,10H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 119126182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).