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

C13H24N4O — CID 55048615

IUPACN-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCN1CCOCC1
InChIInChI=1S/C13H24N4O/c1-2-3-14-12-13-15-4-5-17(13)7-6-16-8-10-18-11-9-16/h4-5,14H,2-3,6-12H2,1H3
InChIKeyGPTFEEQEKNRQFQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds7

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

N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 55048615) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID55048615
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCN1CCOCC1
InChIInChI=1S/C13H24N4O/c1-2-3-14-12-13-15-4-5-17(13)7-6-16-8-10-18-11-9-16/h4-5,14H,2-3,6-12H2,1H3
InChIKeyGPTFEEQEKNRQFQ-UHFFFAOYSA-N
XLogP0.71
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
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-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
1-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956125
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 42795755
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
2-methyl-3-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122570107

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine (CID 55048615) is N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1CCN1CCOCC1.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is GPTFEEQEKNRQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-3-14-12-13-15-4-5-17(13)7-6-16-8-10-18-11-9-16/h4-5,14H,2-3,6-12H2,1H3.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55048615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).