2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride

C14H28Cl2N4O — CID 154908850

IUPAC2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
SMILESCCCCc1ncc(CN2CCOC(CCN)C2)[nH]1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-2-3-4-14-16-9-12(17-14)10-18-7-8-19-13(11-18)5-6-15;;/h9,13H,2-8,10-11,15H2,1H3,(H,16,17);2*1H
InChIKeyOQJVPUITISPZER-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.15
Rot. Bonds7

About 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride

2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride (PubChem CID 154908850) has the molecular formula C14H28Cl2N4O and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
PubChem CID154908850
Molecular FormulaC14H28Cl2N4O
Molecular Weight339.31 g/mol
Exact Mass338.16
IUPAC Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
SMILESCCCCc1ncc(CN2CCOC(CCN)C2)[nH]1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-2-3-4-14-16-9-12(17-14)10-18-7-8-19-13(11-18)5-6-15;;/h9,13H,2-8,10-11,15H2,1H3,(H,16,17);2*1H
InChIKeyOQJVPUITISPZER-UHFFFAOYSA-N
XLogP2.15
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124941563
4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030463
1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124947645
(1S,9S)-11-[(2-butyl-1H-imidazol-5-yl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118783565
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
CID 72862184
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124982186
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride (CID 154908850) is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride is CCCCc1ncc(CN2CCOC(CCN)C2)[nH]1.Cl.Cl.
What is the InChIKey of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride?
The InChIKey is OQJVPUITISPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2ClH/c1-2-3-4-14-16-9-12(17-14)10-18-7-8-19-13(11-18)5-6-15;;/h9,13H,2-8,10-11,15H2,1H3,(H,16,17);2*1H.
What are the key properties of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride?
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 154908850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).