2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol

C15H22N4O2 — CID 170207462

IUPAC2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol
SMILESCC1CN(C(/C=C(\N)c2ccccc2O)=C(N)N)CCO1
InChIInChI=1S/C15H22N4O2/c1-10-9-19(6-7-21-10)13(15(17)18)8-12(16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9,16-18H2,1H3/b12-8-
InChIKeyKUXFBBWWTOKBCW-WQLSENKSSA-N
MW290.37 g/mol
LogP0.50
Rot. Bonds3

About 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol

2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol (PubChem CID 170207462) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol.

Molecular Properties

Compound Name2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol
PubChem CID170207462
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol
SMILESCC1CN(C(/C=C(\N)c2ccccc2O)=C(N)N)CCO1
InChIInChI=1S/C15H22N4O2/c1-10-9-19(6-7-21-10)13(15(17)18)8-12(16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9,16-18H2,1H3/b12-8-
InChIKeyKUXFBBWWTOKBCW-WQLSENKSSA-N
XLogP0.50
TPSA110.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[6-methyl-4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]morpholin-2-yl]benzoic acid
CID 176563083
2-[(1Z)-1,4,4-triamino-3-[4-[(dimethylamino)methyl]piperidin-1-yl]buta-1,3-dienyl]phenol
CID 145145816
4-[(2S,5S)-5-methyl-4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]morpholin-2-yl]benzoic acid
CID 176562386
1-[2-benzyl-4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperazin-1-yl]ethanone
CID 145145627
4-[4-methoxy-1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]benzoic acid
CID 176562897
2-[(1Z)-1,4,4-triamino-3-(4-ethyl-2,7-dihydroazepin-1-yl)buta-1,3-dienyl]phenol
CID 155739964
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
1-[3-methyl-4-[1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]phenyl]butan-1-one
CID 176562077
4-[4,4-difluoro-1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]-3-methylbenzoic acid
CID 176561920
2-[(1Z)-1,4,4-triamino-3-[3-ethyl-4-(5-fluoro-2-pyridinyl)-5-methylpiperazin-1-yl]buta-1,3-dienyl]phenol
CID 145145793
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol?
The IUPAC name of 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol (CID 170207462) is 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol.
What is the SMILES notation for 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol?
The canonical SMILES for 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol is CC1CN(C(/C=C(\N)c2ccccc2O)=C(N)N)CCO1.
What is the InChIKey of 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol?
The InChIKey is KUXFBBWWTOKBCW-WQLSENKSSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-9-19(6-7-21-10)13(15(17)18)8-12(16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9,16-18H2,1H3/b12-8-.
What are the key properties of 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol?
2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol has a molecular weight of 290.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1,4,4-triamino-3-(2-methylmorpholin-4-yl)buta-1,3-dienyl]phenol is sourced from PubChem (CID 170207462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).