N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine

C12H23N3O — CID 65181164

IUPACN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCCOCCCn1ccnc1CNC(C)C
InChIInChI=1S/C12H23N3O/c1-4-16-9-5-7-15-8-6-13-12(15)10-14-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyMQNNPLRMDYMGSL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds8

About N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine

N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 65181164) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID65181164
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCCOCCCn1ccnc1CNC(C)C
InChIInChI=1S/C12H23N3O/c1-4-16-9-5-7-15-8-6-13-12(15)10-14-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyMQNNPLRMDYMGSL-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-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79228825
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567739

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine (CID 65181164) is N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine is CCOCCCn1ccnc1CNC(C)C.
What is the InChIKey of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is MQNNPLRMDYMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-16-9-5-7-15-8-6-13-12(15)10-14-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine?
N-[[1-(3-ethoxypropyl)imidazol-2-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-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65181164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).