1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C13H23N3O — CID 106564767

IUPAC1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C1CC1(C)C
InChIInChI=1S/C13H23N3O/c1-10-9-16(11-8-13(11,2)3)12(15-10)14-6-5-7-17-4/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyPZZMXGJNZSECBW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds6

About 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106564767) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106564767
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C1CC1(C)C
InChIInChI=1S/C13H23N3O/c1-10-9-16(11-8-13(11,2)3)12(15-10)14-6-5-7-17-4/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyPZZMXGJNZSECBW-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577719
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106564758
N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
CID 106566514
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564748
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
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-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106564767) is 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is PZZMXGJNZSECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-9-16(11-8-13(11,2)3)12(15-10)14-6-5-7-17-4/h9,11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).