N-(3-imidazol-1-ylpropyl)oxan-4-amine

C11H19N3O — CID 43608608

IUPACN-(3-imidazol-1-ylpropyl)oxan-4-amine
SMILESc1cn(CCCNC2CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1(6-14-7-5-12-10-14)4-13-11-2-8-15-9-3-11/h5,7,10-11,13H,1-4,6,8-9H2
InChIKeyCRYVTXXELQEXIQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)oxan-4-amine

N-(3-imidazol-1-ylpropyl)oxan-4-amine (PubChem CID 43608608) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)oxan-4-amine
PubChem CID43608608
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-imidazol-1-ylpropyl)oxan-4-amine
SMILESc1cn(CCCNC2CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1(6-14-7-5-12-10-14)4-13-11-2-8-15-9-3-11/h5,7,10-11,13H,1-4,6,8-9H2
InChIKeyCRYVTXXELQEXIQ-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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Related Compounds

(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 83033681
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
CID 43635100
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)oxan-4-amine (CID 43608608) is N-(3-imidazol-1-ylpropyl)oxan-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)oxan-4-amine is c1cn(CCCNC2CCOCC2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The InChIKey is CRYVTXXELQEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1(6-14-7-5-12-10-14)4-13-11-2-8-15-9-3-11/h5,7,10-11,13H,1-4,6,8-9H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)oxan-4-amine?
N-(3-imidazol-1-ylpropyl)oxan-4-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)oxan-4-amine is sourced from PubChem (CID 43608608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).