N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine

C11H22N4 — CID 106719181

IUPACN-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)C)cn1
InChIInChI=1S/C11H22N4/c1-4-5-12-8-11-9-15(10-13-11)7-6-14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyJSXHUYJOGWTNAM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.94
Rot. Bonds7

About N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719181) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719181
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)C)cn1
InChIInChI=1S/C11H22N4/c1-4-5-12-8-11-9-15(10-13-11)7-6-14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyJSXHUYJOGWTNAM-UHFFFAOYSA-N
XLogP0.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.94
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

N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
CID 114281742
N-[[1-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204464
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
methyl 2-[4-(propylaminomethyl)imidazol-1-yl]acetate
CID 106719124
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
N-[[1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204176
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719254
N-cyclopropyl-N-ethyl-2-[4-(propylaminomethyl)imidazol-1-yl]acetamide
CID 106719093
N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719107

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719181) is N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCN(C)C)cn1.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is JSXHUYJOGWTNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-12-8-11-9-15(10-13-11)7-6-14(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).