N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine

C13H25N3O2 — CID 106582356

IUPACN-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCOCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-18-8-7-16-6-5-14-13(16)15-12(3)10-17-4/h5-6,11-12H,7-10H2,1-4H3,(H,14,15)
InChIKeySHBJLAANEDMNBT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.00
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (PubChem CID 106582356) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
PubChem CID106582356
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCOCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-18-8-7-16-6-5-14-13(16)15-12(3)10-17-4/h5-6,11-12H,7-10H2,1-4H3,(H,14,15)
InChIKeySHBJLAANEDMNBT-UHFFFAOYSA-N
XLogP2.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine
CID 106581674
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
1-(2-methoxyethyl)-N-(4-methylhexan-2-yl)imidazol-2-amine
CID 106574023
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (CID 106582356) is N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is COCC(C)Nc1nccn1CCOCC(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The InChIKey is SHBJLAANEDMNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)9-18-8-7-16-6-5-14-13(16)15-12(3)10-17-4/h5-6,11-12H,7-10H2,1-4H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106582356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).