N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

C16H25N3OS — CID 46997289

IUPACN-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCCc1ncc(CN(CCOC)Cc2cccs2)[nH]1
InChIInChI=1S/C16H25N3OS/c1-3-4-7-16-17-11-14(18-16)12-19(8-9-20-2)13-15-6-5-10-21-15/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3,(H,17,18)
InChIKeyZSJCDBDWGJMUOH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.46
Rot. Bonds10

About N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 46997289) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID46997289
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCCc1ncc(CN(CCOC)Cc2cccs2)[nH]1
InChIInChI=1S/C16H25N3OS/c1-3-4-7-16-17-11-14(18-16)12-19(8-9-20-2)13-15-6-5-10-21-15/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3,(H,17,18)
InChIKeyZSJCDBDWGJMUOH-UHFFFAOYSA-N
XLogP3.46
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one
CID 135630726
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 46992213
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
2-(8-methoxyoctyl)thiophene
CID 139537837

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (CID 46997289) is N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is CCCCc1ncc(CN(CCOC)Cc2cccs2)[nH]1.
What is the InChIKey of N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is ZSJCDBDWGJMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-4-7-16-17-11-14(18-16)12-19(8-9-20-2)13-15-6-5-10-21-15/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 307.46 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 46997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).