[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine

C11H19N3O — CID 65173175

IUPAC[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1CCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9-13-8-10(7-12)14(9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3
InChIKeyJIRWWIBVUDLCPZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.22
Rot. Bonds4

About [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine

[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 65173175) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID65173175
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1CCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9-13-8-10(7-12)14(9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3
InChIKeyJIRWWIBVUDLCPZ-UHFFFAOYSA-N
XLogP1.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 65172378
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172329
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 114192847

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine (CID 65173175) is [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine is Cc1ncc(CN)n1CCC1CCCO1.
What is the InChIKey of [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is JIRWWIBVUDLCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-13-8-10(7-12)14(9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3.
What are the key properties of [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 65173175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).