2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine

C12H21N3O — CID 102969393

IUPAC2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)12(13)11-6-14-8-15(11)7-10-4-3-5-16-10/h6,8-10,12H,3-5,7,13H2,1-2H3
InChIKeyOARJIKVPXCPPRF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine

2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine (PubChem CID 102969393) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
PubChem CID102969393
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)12(13)11-6-14-8-15(11)7-10-4-3-5-16-10/h6,8-10,12H,3-5,7,13H2,1-2H3
InChIKeyOARJIKVPXCPPRF-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
CID 114704529
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
CID 133240205
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine (CID 102969393) is 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1CC1CCCO1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine?
The InChIKey is OARJIKVPXCPPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12(13)11-6-14-8-15(11)7-10-4-3-5-16-10/h6,8-10,12H,3-5,7,13H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).