2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine

C12H21N3O — CID 66117360

IUPAC2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C12H21N3O/c1-3-5-14-10-4-6-16-12(7-10)11-8-13-9-15(11)2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyVAVBHFHHIZDEBQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine

2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine (PubChem CID 66117360) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine
PubChem CID66117360
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C12H21N3O/c1-3-5-14-10-4-6-16-12(7-10)11-8-13-9-15(11)2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyVAVBHFHHIZDEBQ-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 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine (CID 66117360) is 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine is CCCNC1CCOC(c2cncn2C)C1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine?
The InChIKey is VAVBHFHHIZDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-14-10-4-6-16-12(7-10)11-8-13-9-15(11)2/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine?
2-(3-methylimidazol-4-yl)-N-propyloxan-4-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 2-(3-methylimidazol-4-yl)-N-propyloxan-4-amine is sourced from PubChem (CID 66117360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).