(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine

C17H26N4O — CID 94600630

IUPAC(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1cccnc1)Cc1nccn1CCOC
InChIInChI=1S/C17H26N4O/c1-4-15(2)21(13-16-6-5-7-18-12-16)14-17-19-8-9-20(17)10-11-22-3/h5-9,12,15H,4,10-11,13-14H2,1-3H3/t15-/m1/s1
InChIKeyALMCBJJHSHFIIF-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.73
Rot. Bonds9

About (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine

(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine (PubChem CID 94600630) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
PubChem CID94600630
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1cccnc1)Cc1nccn1CCOC
InChIInChI=1S/C17H26N4O/c1-4-15(2)21(13-16-6-5-7-18-12-16)14-17-19-8-9-20(17)10-11-22-3/h5-9,12,15H,4,10-11,13-14H2,1-3H3/t15-/m1/s1
InChIKeyALMCBJJHSHFIIF-OAHLLOKOSA-N
XLogP2.73
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-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

ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
CID 131905578
1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 131930310
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411
[1-(1-propylimidazol-2-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212135
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 131896758

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine (CID 94600630) is (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine is CC[C@@H](C)N(Cc1cccnc1)Cc1nccn1CCOC.
What is the InChIKey of (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The InChIKey is ALMCBJJHSHFIIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-15(2)21(13-16-6-5-7-18-12-16)14-17-19-8-9-20(17)10-11-22-3/h5-9,12,15H,4,10-11,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine has a molecular weight of 302.42 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 94600630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).