N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride

C11H23ClN4O — CID 115607154

IUPACN-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
SMILESCOCCN(C)CCCNCc1cnc[nH]1.Cl
InChIInChI=1S/C11H22N4O.ClH/c1-15(6-7-16-2)5-3-4-12-8-11-9-13-10-14-11;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyLVPPDUNXZBHQBB-UHFFFAOYSA-N
MW262.78 g/mol
LogP0.89
Rot. Bonds9

About N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride

N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride (PubChem CID 115607154) has the molecular formula C11H23ClN4O and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
PubChem CID115607154
Molecular FormulaC11H23ClN4O
Molecular Weight262.78 g/mol
Exact Mass262.16
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
SMILESCOCCN(C)CCCNCc1cnc[nH]1.Cl
InChIInChI=1S/C11H22N4O.ClH/c1-15(6-7-16-2)5-3-4-12-8-11-9-13-10-14-11;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyLVPPDUNXZBHQBB-UHFFFAOYSA-N
XLogP0.89
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
4-(methoxymethyl)-1H-imidazole
CID 21401481
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CID 45791344
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
2-(1H-imidazol-5-ylmethyl)guanidine
CID 44331454
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride
CID 21144688
1-(1H-imidazol-5-ylmethyl)-1,4-diazepane
CID 44211092
((1H-imidazol-4-yl)methyl)(methyl)amine dihydrochloride
CID 66563717
1-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 116509026
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride (CID 115607154) is N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride is COCCN(C)CCCNCc1cnc[nH]1.Cl.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The InChIKey is LVPPDUNXZBHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O.ClH/c1-15(6-7-16-2)5-3-4-12-8-11-9-13-10-14-11;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 115607154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).