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

C15H27N3O — CID 115859031

IUPACN-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCCCO1
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(13-7-5-6-12-19-13)15-17-9-11-18(15)10-4-2/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyBUCWNUAKSYZEQW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds7

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

N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 115859031) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID115859031
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCCCO1
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(13-7-5-6-12-19-13)15-17-9-11-18(15)10-4-2/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyBUCWNUAKSYZEQW-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
oxolan-2-yl-(1-propylimidazol-2-yl)methanamine
CID 65331088
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
N-[(1-ethylimidazol-2-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79665969
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
CID 115860223
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962

Frequently Asked Questions

What is the IUPAC name of N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 115859031) is N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CCC)C1CCCCO1.
What is the InChIKey of N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is BUCWNUAKSYZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-16-14(13-7-5-6-12-19-13)15-17-9-11-18(15)10-4-2/h9,11,13-14,16H,3-8,10,12H2,1-2H3.
What are the key properties of N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115859031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).