3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine

C12H21N3 — CID 118118778

IUPAC3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine
SMILESC=C(NCCc1nc[nH]c1C)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9-11(15-8-14-9)6-7-13-10(2)12(3,4)5/h8,13H,2,6-7H2,1,3-5H3,(H,14,15)
InChIKeyVGMTUEYGTHGZPT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.41
Rot. Bonds4

About 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine

3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine (PubChem CID 118118778) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine
PubChem CID118118778
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine
SMILESC=C(NCCc1nc[nH]c1C)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9-11(15-8-14-9)6-7-13-10(2)12(3,4)5/h8,13H,2,6-7H2,1,3-5H3,(H,14,15)
InChIKeyVGMTUEYGTHGZPT-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-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

4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide
CID 123914441
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
4-(2-methoxyethyl)-5-methyl-1H-imidazole
CID 173053461
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 65102733
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
3-(5-methyl-1H-imidazol-4-yl)propanoyl chloride
CID 87226527
2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide
CID 106274648
4-heptyl-5-methyl-1H-imidazole
CID 89069470
2-(hydroxymethyl)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]propane-1,3-diol
CID 107850476
3-cyclopentyl-N-[3-(5-methyl-1H-imidazol-4-yl)propyl]propanamide
CID 10332981
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
CID 19766364
4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole
CID 105429604

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine (CID 118118778) is 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine is C=C(NCCc1nc[nH]c1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine?
The InChIKey is VGMTUEYGTHGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-11(15-8-14-9)6-7-13-10(2)12(3,4)5/h8,13H,2,6-7H2,1,3-5H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine?
3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine is sourced from PubChem (CID 118118778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).