1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H27N3O2 — CID 106575097

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(COC)C(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)13(10-19-5)17-9-12(3)16-14(17)15-7-6-8-18-4/h9,11,13H,6-8,10H2,1-5H3,(H,15,16)
InChIKeyBOAOAKDQJLISQO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.48
Rot. Bonds9

About 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106575097) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106575097
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(COC)C(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)13(10-19-5)17-9-12(3)16-14(17)15-7-6-8-18-4/h9,11,13H,6-8,10H2,1-5H3,(H,15,16)
InChIKeyBOAOAKDQJLISQO-UHFFFAOYSA-N
XLogP2.48
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106567768
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562252
N-(3-methoxypropyl)-4-methyl-1-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568545
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N-(2-methoxyethyl)-4-methyl-1-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569166
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573349

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106575097) is 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1C(COC)C(C)C.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is BOAOAKDQJLISQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)13(10-19-5)17-9-12(3)16-14(17)15-7-6-8-18-4/h9,11,13H,6-8,10H2,1-5H3,(H,15,16).
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106575097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).