2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine

C15H28N4O — CID 114719000

IUPAC2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H28N4O/c1-4-18(5-2)9-12(3)19-11-17-8-14(19)15(16)13-6-7-20-10-13/h8,11-13,15H,4-7,9-10,16H2,1-3H3
InChIKeyQZFDWYIPNCELAI-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.82
Rot. Bonds7

About 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine

2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 114719000) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
PubChem CID114719000
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H28N4O/c1-4-18(5-2)9-12(3)19-11-17-8-14(19)15(16)13-6-7-20-10-13/h8,11-13,15H,4-7,9-10,16H2,1-3H3
InChIKeyQZFDWYIPNCELAI-UHFFFAOYSA-N
XLogP1.82
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine (CID 114719000) is 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CC(C)n1cncc1C(N)C1CCOC1.
What is the InChIKey of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is QZFDWYIPNCELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-18(5-2)9-12(3)19-11-17-8-14(19)15(16)13-6-7-20-10-13/h8,11-13,15H,4-7,9-10,16H2,1-3H3.
What are the key properties of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 114719000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).