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

C12H23N3O — CID 106719368

IUPACN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCCCOCCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H23N3O/c1-4-6-16-7-5-15-9-12(14-10-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyPKXRGHZHFPYUAR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds8

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

N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719368) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719368
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCCCOCCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H23N3O/c1-4-6-16-7-5-15-9-12(14-10-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyPKXRGHZHFPYUAR-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
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-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
N-[2-[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985115
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine (CID 106719368) is N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine is CCCOCCn1cnc(CNC(C)C)c1.
What is the InChIKey of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is PKXRGHZHFPYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-16-7-5-15-9-12(14-10-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).