1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine

C13H23N3O — CID 106582379

IUPAC1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCCOCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)9-17-7-6-14-13-15-11(3)8-16(13)12-4-5-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyCHYUDLHALDCZES-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds7

About 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine

1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (PubChem CID 106582379) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
PubChem CID106582379
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCCOCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)9-17-7-6-14-13-15-11(3)8-16(13)12-4-5-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyCHYUDLHALDCZES-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.61
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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Related Compounds

1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 106579397
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
CID 106562369
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (CID 106582379) is 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is Cc1cn(C2CC2)c(NCCOCC(C)C)n1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The InChIKey is CHYUDLHALDCZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)9-17-7-6-14-13-15-11(3)8-16(13)12-4-5-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15).
What are the key properties of 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106582379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).