N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine

C15H28N4O — CID 106572086

IUPACN-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCCN1CCCC1
InChIInChI=1S/C15H28N4O/c1-14-13-19(11-6-10-18-8-3-4-9-18)15(17-14)16-7-5-12-20-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyHFCHAFOMQISWMJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.13
Rot. Bonds9

About N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine

N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine (PubChem CID 106572086) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
PubChem CID106572086
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCCN1CCCC1
InChIInChI=1S/C15H28N4O/c1-14-13-19(11-6-10-18-8-3-4-9-18)15(17-14)16-7-5-12-20-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyHFCHAFOMQISWMJ-UHFFFAOYSA-N
XLogP2.13
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.13
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-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
1-(2-methoxyethyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557477
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570090
N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571929

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine (CID 106572086) is N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine is COCCCNc1nc(C)cn1CCCN1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The InChIKey is HFCHAFOMQISWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14-13-19(11-6-10-18-8-3-4-9-18)15(17-14)16-7-5-12-20-2/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106572086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).