1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H26N4O — CID 106571519

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCN(C)C1CC1
InChIInChI=1S/C14H26N4O/c1-12-11-18(9-8-17(2)13-5-6-13)14(16-12)15-7-4-10-19-3/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyCOEWRNODCKZBGS-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.73
Rot. Bonds9

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106571519) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106571519
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCN(C)C1CC1
InChIInChI=1S/C14H26N4O/c1-12-11-18(9-8-17(2)13-5-6-13)14(16-12)15-7-4-10-19-3/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyCOEWRNODCKZBGS-UHFFFAOYSA-N
XLogP1.73
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.73
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

1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylimidazol-2-amine
CID 106571517
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106571519) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1CCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is COEWRNODCKZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-11-18(9-8-17(2)13-5-6-13)14(16-12)15-7-4-10-19-3/h11,13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).