N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine

C14H28N4O — CID 106553237

IUPACN'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCCn1cc(C)nc1N(C)CCCNC
InChIInChI=1S/C14H28N4O/c1-5-19-11-7-10-18-12-13(2)16-14(18)17(4)9-6-8-15-3/h12,15H,5-11H2,1-4H3
InChIKeyDUQAMSNHZWPAHS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds10

About N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine

N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 106553237) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID106553237
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCCn1cc(C)nc1N(C)CCCNC
InChIInChI=1S/C14H28N4O/c1-5-19-11-7-10-18-12-13(2)16-14(18)17(4)9-6-8-15-3/h12,15H,5-11H2,1-4H3
InChIKeyDUQAMSNHZWPAHS-UHFFFAOYSA-N
XLogP1.66
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
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-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
N,N'-dimethyl-N'-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
CID 106552757
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 106552783
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
CID 106575849
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552472
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine (CID 106553237) is N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine is CCOCCCn1cc(C)nc1N(C)CCCNC.
What is the InChIKey of N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is DUQAMSNHZWPAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-19-11-7-10-18-12-13(2)16-14(18)17(4)9-6-8-15-3/h12,15H,5-11H2,1-4H3.
What are the key properties of N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine?
N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106553237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).