N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

C11H17N3O — CID 65230922

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESC1=COC(CNCCc2cnc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-6-15-11(3-1)8-12-5-4-10-7-13-9-14-10/h2,6-7,9,11-12H,1,3-5,8H2,(H,13,14)
InChIKeyOBJFJBPFKKFCND-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 65230922) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID65230922
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESC1=COC(CNCCc2cnc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-6-15-11(3-1)8-12-5-4-10-7-13-9-14-10/h2,6-7,9,11-12H,1,3-5,8H2,(H,13,14)
InChIKeyOBJFJBPFKKFCND-UHFFFAOYSA-N
XLogP1.23
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (CID 65230922) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is C1=COC(CNCCc2cnc[nH]2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is OBJFJBPFKKFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-6-15-11(3-1)8-12-5-4-10-7-13-9-14-10/h2,6-7,9,11-12H,1,3-5,8H2,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.23, 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-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 65230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).