N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine

C11H19N3O — CID 75525164

IUPACN-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-10-11(3-8-15-10)13-4-2-6-14-7-5-12-9-14/h5,7,9-11,13H,2-4,6,8H2,1H3
InChIKeyNRCYWNVPMUHBBJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine

N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine (PubChem CID 75525164) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine
PubChem CID75525164
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-10-11(3-8-15-10)13-4-2-6-14-7-5-12-9-14/h5,7,9-11,13H,2-4,6,8H2,1H3
InChIKeyNRCYWNVPMUHBBJ-UHFFFAOYSA-N
XLogP1.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
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)-2-methyloxolan-3-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine (CID 75525164) is N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine is CC1OCCC1NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine?
The InChIKey is NRCYWNVPMUHBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-11(3-8-15-10)13-4-2-6-14-7-5-12-9-14/h5,7,9-11,13H,2-4,6,8H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine?
N-(3-imidazol-1-ylpropyl)-2-methyloxolan-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.04, 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)-2-methyloxolan-3-amine is sourced from PubChem (CID 75525164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).