N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine

C12H19N3O — CID 62064408

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCC=CO1
InChIInChI=1S/C12H19N3O/c1-11(9-15-6-5-13-10-15)14-8-12-4-2-3-7-16-12/h3,5-7,10-12,14H,2,4,8-9H2,1H3
InChIKeyAINZVPUDEPHBCP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine (PubChem CID 62064408) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine
PubChem CID62064408
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCC=CO1
InChIInChI=1S/C12H19N3O/c1-11(9-15-6-5-13-10-15)14-8-12-4-2-3-7-16-12/h3,5-7,10-12,14H,2,4,8-9H2,1H3
InChIKeyAINZVPUDEPHBCP-UHFFFAOYSA-N
XLogP1.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine (CID 62064408) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The InChIKey is AINZVPUDEPHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(9-15-6-5-13-10-15)14-8-12-4-2-3-7-16-12/h3,5-7,10-12,14H,2,4,8-9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 62064408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).