1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine

C11H21N3O — CID 106578559

IUPAC1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCNc1nc(C)cn1C
InChIInChI=1S/C11H21N3O/c1-4-7-15-8-5-6-12-11-13-10(2)9-14(11)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeySKHAPFUAIMYHLE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.96
Rot. Bonds7

About 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine

1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine (PubChem CID 106578559) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine
PubChem CID106578559
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCNc1nc(C)cn1C
InChIInChI=1S/C11H21N3O/c1-4-7-15-8-5-6-12-11-13-10(2)9-14(11)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeySKHAPFUAIMYHLE-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.96
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

1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
CID 106573659
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
N-(3-ethoxypropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-4-methylimidazol-2-amine
CID 107465450

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine?
The IUPAC name of 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine (CID 106578559) is 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine?
The canonical SMILES for 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine is CCCOCCCNc1nc(C)cn1C.
What is the InChIKey of 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine?
The InChIKey is SKHAPFUAIMYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-7-15-8-5-6-12-11-13-10(2)9-14(11)3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine?
1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).