N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine

C13H23N3O — CID 114130067

IUPACN-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCC1CCOC1
InChIInChI=1S/C13H23N3O/c1-13(2,14-3)12-8-15-10-16(12)6-4-11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLOYPOKHUVOWAMK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine

N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine (PubChem CID 114130067) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
PubChem CID114130067
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCC1CCOC1
InChIInChI=1S/C13H23N3O/c1-13(2,14-3)12-8-15-10-16(12)6-4-11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLOYPOKHUVOWAMK-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114129923
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
CID 114708453
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 114704890
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708327
N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
CID 114708466
4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol
CID 114708131
N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
CID 114708418
2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708234
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708000
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine (CID 114130067) is N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CCC1CCOC1.
What is the InChIKey of N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is LOYPOKHUVOWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,14-3)12-8-15-10-16(12)6-4-11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114130067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).