1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine

C12H21N3O — CID 174359488

IUPAC1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
SMILESCCn1c(C)cnc1NC1(C)CCOCC1
InChIInChI=1S/C12H21N3O/c1-4-15-10(2)9-13-11(15)14-12(3)5-7-16-8-6-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVMLINVFVIXMRQI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.19
Rot. Bonds3

About 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine

1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine (PubChem CID 174359488) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
PubChem CID174359488
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
SMILESCCn1c(C)cnc1NC1(C)CCOCC1
InChIInChI=1S/C12H21N3O/c1-4-15-10(2)9-13-11(15)14-12(3)5-7-16-8-6-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVMLINVFVIXMRQI-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The IUPAC name of 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine (CID 174359488) is 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine is CCn1c(C)cnc1NC1(C)CCOCC1.
What is the InChIKey of 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The InChIKey is VMLINVFVIXMRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15-10(2)9-13-11(15)14-12(3)5-7-16-8-6-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine is sourced from PubChem (CID 174359488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).