2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

C15H28N4O — CID 107444378

IUPAC2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCN1CCOC(Cn2cncc2C(CN)C(C)C)C1
InChIInChI=1S/C15H28N4O/c1-4-18-5-6-20-13(9-18)10-19-11-17-8-15(19)14(7-16)12(2)3/h8,11-14H,4-7,9-10,16H2,1-3H3
InChIKeyXDVOBQCMXHQVEI-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.30
Rot. Bonds6

About 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444378) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444378
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCN1CCOC(Cn2cncc2C(CN)C(C)C)C1
InChIInChI=1S/C15H28N4O/c1-4-18-5-6-20-13(9-18)10-19-11-17-8-15(19)14(7-16)12(2)3/h8,11-14H,4-7,9-10,16H2,1-3H3
InChIKeyXDVOBQCMXHQVEI-UHFFFAOYSA-N
XLogP1.30
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763
1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
N-ethyl-1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79182288
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595470
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 107444378) is 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is CCN1CCOC(Cn2cncc2C(CN)C(C)C)C1.
What is the InChIKey of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is XDVOBQCMXHQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-18-5-6-20-13(9-18)10-19-11-17-8-15(19)14(7-16)12(2)3/h8,11-14H,4-7,9-10,16H2,1-3H3.
What are the key properties of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).