N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine

C12H19N3O — CID 102647869

IUPACN-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ncc[nH]1
InChIInChI=1S/C12H19N3O/c1-2-6-13-11(12-14-7-8-15-12)10-5-3-4-9-16-10/h5,7-8,11,13H,2-4,6,9H2,1H3,(H,14,15)
InChIKeyOXRHDPZQLWPDGZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 102647869) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID102647869
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ncc[nH]1
InChIInChI=1S/C12H19N3O/c1-2-6-13-11(12-14-7-8-15-12)10-5-3-4-9-16-10/h5,7-8,11,13H,2-4,6,9H2,1H3,(H,14,15)
InChIKeyOXRHDPZQLWPDGZ-UHFFFAOYSA-N
XLogP2.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]hydrazine
CID 102650085
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine (CID 102647869) is N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1ncc[nH]1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is OXRHDPZQLWPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-13-11(12-14-7-8-15-12)10-5-3-4-9-16-10/h5,7-8,11,13H,2-4,6,9H2,1H3,(H,14,15).
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).