2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine

C14H25N3O — CID 83032603

IUPAC2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCCn1ccnc1CNC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O/c1-4-7-17-8-6-15-13(17)11-16-12-5-9-18-14(2,3)10-12/h6,8,12,16H,4-5,7,9-11H2,1-3H3
InChIKeyYPBQUQWFXRAKSB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds5

About 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine

2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine (PubChem CID 83032603) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
PubChem CID83032603
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCCn1ccnc1CNC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O/c1-4-7-17-8-6-15-13(17)11-16-12-5-9-18-14(2,3)10-12/h6,8,12,16H,4-5,7,9-11H2,1-3H3
InChIKeyYPBQUQWFXRAKSB-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine (CID 83032603) is 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine is CCCn1ccnc1CNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The InChIKey is YPBQUQWFXRAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-17-8-6-15-13(17)11-16-12-5-9-18-14(2,3)10-12/h6,8,12,16H,4-5,7,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 83032603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).