1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine

C14H25N3O — CID 106721447

IUPAC1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CCCC2CCCO2)cn1
InChIInChI=1S/C14H25N3O/c1-2-12(15)9-13-10-17(11-16-13)7-3-5-14-6-4-8-18-14/h10-12,14H,2-9,15H2,1H3
InChIKeyCIUDCUNBZXAVBY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.12
Rot. Bonds7

About 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine

1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721447) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
PubChem CID106721447
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CCCC2CCCO2)cn1
InChIInChI=1S/C14H25N3O/c1-2-12(15)9-13-10-17(11-16-13)7-3-5-14-6-4-8-18-14/h10-12,14H,2-9,15H2,1H3
InChIKeyCIUDCUNBZXAVBY-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718607
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 63817739
1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
CID 64784520
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine (CID 106721447) is 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(CCCC2CCCO2)cn1.
What is the InChIKey of 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine?
The InChIKey is CIUDCUNBZXAVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-12(15)9-13-10-17(11-16-13)7-3-5-14-6-4-8-18-14/h10-12,14H,2-9,15H2,1H3.
What are the key properties of 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine?
1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).