[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H26N4O2 — CID 114719164

IUPAC[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCC(CN1CCOCC1)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H26N4O2/c1-12(9-18-3-6-20-7-4-18)19-11-17-8-14(19)15(16)13-2-5-21-10-13/h8,11-13,15H,2-7,9-10,16H2,1H3
InChIKeyQZZAOJFPCATAEI-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.81
Rot. Bonds5

About [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114719164) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114719164
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCC(CN1CCOCC1)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H26N4O2/c1-12(9-18-3-6-20-7-4-18)19-11-17-8-14(19)15(16)13-2-5-21-10-13/h8,11-13,15H,2-7,9-10,16H2,1H3
InChIKeyQZZAOJFPCATAEI-UHFFFAOYSA-N
XLogP0.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114719000
3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 114705044
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
CID 114720628
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342

Frequently Asked Questions

What is the IUPAC name of [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114719164) is [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is CC(CN1CCOCC1)n1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is QZZAOJFPCATAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(9-18-3-6-20-7-4-18)19-11-17-8-14(19)15(16)13-2-5-21-10-13/h8,11-13,15H,2-7,9-10,16H2,1H3.
What are the key properties of [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 294.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114719164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).