N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine

C10H17N3O — CID 63000725

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCn1cncc1CNCC1CCOC1
InChIInChI=1S/C10H17N3O/c1-13-8-12-6-10(13)5-11-4-9-2-3-14-7-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyMDQIIVJRTINDAY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 63000725) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID63000725
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCn1cncc1CNCC1CCOC1
InChIInChI=1S/C10H17N3O/c1-13-8-12-6-10(13)5-11-4-9-2-3-14-7-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyMDQIIVJRTINDAY-UHFFFAOYSA-N
XLogP0.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 63000725) is N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine is Cn1cncc1CNCC1CCOC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is MDQIIVJRTINDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-12-6-10(13)5-11-4-9-2-3-14-7-9/h6,8-9,11H,2-5,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 63000725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).