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

C11H17N3O — CID 173102537

IUPACN-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine
SMILESC1=COC(NCCCn2ccnc2)CC1
InChIInChI=1S/C11H17N3O/c1-2-9-15-11(4-1)13-5-3-7-14-8-6-12-10-14/h2,6,8-11,13H,1,3-5,7H2
InChIKeyHDHHJVKSRXXVBS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.51
Rot. Bonds5

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

N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine (PubChem CID 173102537) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine
PubChem CID173102537
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine
SMILESC1=COC(NCCCn2ccnc2)CC1
InChIInChI=1S/C11H17N3O/c1-2-9-15-11(4-1)13-5-3-7-14-8-6-12-10-14/h2,6,8-11,13H,1,3-5,7H2
InChIKeyHDHHJVKSRXXVBS-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine (CID 173102537) is N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine is C1=COC(NCCCn2ccnc2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine?
The InChIKey is HDHHJVKSRXXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9-15-11(4-1)13-5-3-7-14-8-6-12-10-14/h2,6,8-11,13H,1,3-5,7H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine?
N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 173102537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).