N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine

C16H29N3O — CID 105011555

IUPACN-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29N3O/c1-6-7-17-14(10-15-18-8-9-19(15)5)16-11(2)12(3)20-13(16)4/h8-9,11-14,16-17H,6-7,10H2,1-5H3
InChIKeyOWDHPDVOQTVVHL-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 105011555) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID105011555
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29N3O/c1-6-7-17-14(10-15-18-8-9-19(15)5)16-11(2)12(3)20-13(16)4/h8-9,11-14,16-17H,6-7,10H2,1-5H3
InChIKeyOWDHPDVOQTVVHL-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105002168
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 79752776
N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105036896
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115794268
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107004749
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751721
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine (CID 105011555) is N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1C)C1C(C)OC(C)C1C.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is OWDHPDVOQTVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-7-17-14(10-15-18-8-9-19(15)5)16-11(2)12(3)20-13(16)4/h8-9,11-14,16-17H,6-7,10H2,1-5H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105011555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).