N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine

C13H23N3O — CID 106579015

IUPACN-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCOC1C
InChIInChI=1S/C13H23N3O/c1-4-5-7-14-13-15-10(2)9-16(13)12-6-8-17-11(12)3/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyBCUPRHJNVDJAHF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.75
Rot. Bonds5

About N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine

N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine (PubChem CID 106579015) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine
PubChem CID106579015
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCOC1C
InChIInChI=1S/C13H23N3O/c1-4-5-7-14-13-15-10(2)9-16(13)12-6-8-17-11(12)3/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyBCUPRHJNVDJAHF-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine (CID 106579015) is N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine is CCCCNc1nc(C)cn1C1CCOC1C.
What is the InChIKey of N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine?
The InChIKey is BCUPRHJNVDJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-7-14-13-15-10(2)9-16(13)12-6-8-17-11(12)3/h9,11-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine?
N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106579015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).