N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine

C14H25N3O — CID 65329600

IUPACN-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-3-6-15-13(12-5-10-18-11-12)14-16-7-9-17(14)8-4-2/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyYATFUZJBFMSVOR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds7

About N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 65329600) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID65329600
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-3-6-15-13(12-5-10-18-11-12)14-16-7-9-17(14)8-4-2/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyYATFUZJBFMSVOR-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65332085
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105147577
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 64984371
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 65329600) is N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CCC)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is YATFUZJBFMSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-15-13(12-5-10-18-11-12)14-16-7-9-17(14)8-4-2/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65329600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).