3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine

C14H25N3O — CID 114704529

IUPAC3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CC1CCCCO1
InChIInChI=1S/C14H25N3O/c1-11(2)7-13(15)14-8-16-10-17(14)9-12-5-3-4-6-18-12/h8,10-13H,3-7,9,15H2,1-2H3
InChIKeyZGIXJELBERTNSI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds5

About 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine (PubChem CID 114704529) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
PubChem CID114704529
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CC1CCCCO1
InChIInChI=1S/C14H25N3O/c1-11(2)7-13(15)14-8-16-10-17(14)9-12-5-3-4-6-18-12/h8,10-13H,3-7,9,15H2,1-2H3
InChIKeyZGIXJELBERTNSI-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
CID 114705901
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 114202257
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine (CID 114704529) is 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1CC1CCCCO1.
What is the InChIKey of 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine?
The InChIKey is ZGIXJELBERTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)7-13(15)14-8-16-10-17(14)9-12-5-3-4-6-18-12/h8,10-13H,3-7,9,15H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114704529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).