1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine

C13H23N3O — CID 115860150

IUPAC1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
SMILESCCn1ccnc1C(N)CCC1CCCCO1
InChIInChI=1S/C13H23N3O/c1-2-16-9-8-15-13(16)12(14)7-6-11-5-3-4-10-17-11/h8-9,11-12H,2-7,10,14H2,1H3
InChIKeyFIWZCWSLHJZSOF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine

1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 115860150) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID115860150
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
SMILESCCn1ccnc1C(N)CCC1CCCCO1
InChIInChI=1S/C13H23N3O/c1-2-16-9-8-15-13(16)12(14)7-6-11-5-3-4-10-17-11/h8-9,11-12H,2-7,10,14H2,1H3
InChIKeyFIWZCWSLHJZSOF-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
CID 115860223
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869
1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine
CID 82730277
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine (CID 115860150) is 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine is CCn1ccnc1C(N)CCC1CCCCO1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is FIWZCWSLHJZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-9-8-15-13(16)12(14)7-6-11-5-3-4-10-17-11/h8-9,11-12H,2-7,10,14H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine?
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 115860150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).