4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine

C13H23N3O — CID 106562062

IUPAC4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-4-7-14-13-15-10(2)9-16(13)11(3)12-6-5-8-17-12/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyVRTJXDHDSZYDPE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine

4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine (PubChem CID 106562062) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine
PubChem CID106562062
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-4-7-14-13-15-10(2)9-16(13)11(3)12-6-5-8-17-12/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyVRTJXDHDSZYDPE-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
2-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80933538
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106562060
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine?
The IUPAC name of 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine (CID 106562062) is 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine is CCCNc1nc(C)cn1C(C)C1CCCO1.
What is the InChIKey of 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine?
The InChIKey is VRTJXDHDSZYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-13-15-10(2)9-16(13)11(3)12-6-5-8-17-12/h9,11-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine?
4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine is sourced from PubChem (CID 106562062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).