N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine

C12H21N3O — CID 115900976

IUPACN-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
SMILESCCC(NC1CCCOC1)c1nccn1C
InChIInChI=1S/C12H21N3O/c1-3-11(12-13-6-7-15(12)2)14-10-5-4-8-16-9-10/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyXVEQWROFSGABKE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine

N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine (PubChem CID 115900976) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
PubChem CID115900976
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
SMILESCCC(NC1CCCOC1)c1nccn1C
InChIInChI=1S/C12H21N3O/c1-3-11(12-13-6-7-15(12)2)14-10-5-4-8-16-9-10/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyXVEQWROFSGABKE-UHFFFAOYSA-N
XLogP1.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine (CID 115900976) is N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine is CCC(NC1CCCOC1)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine?
The InChIKey is XVEQWROFSGABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11(12-13-6-7-15(12)2)14-10-5-4-8-16-9-10/h6-7,10-11,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine?
N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine is sourced from PubChem (CID 115900976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).