(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol

C15H27N5O — CID 168968812

IUPAC(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
SMILESCC/C=C\C(\C(N)=C\C(=C(N)N)N1CCNCC1)=C(/C)O
InChIInChI=1S/C15H27N5O/c1-3-4-5-12(11(2)21)13(16)10-14(15(17)18)20-8-6-19-7-9-20/h4-5,10,19,21H,3,6-9,16-18H2,1-2H3/b5-4-,12-11-,13-10-
InChIKeyMQAVQKGPKDMORY-ORLPKTTFSA-N
MW293.42 g/mol
LogP0.62
Rot. Bonds5

About (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol

(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol (PubChem CID 168968812) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
PubChem CID168968812
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
SMILESCC/C=C\C(\C(N)=C\C(=C(N)N)N1CCNCC1)=C(/C)O
InChIInChI=1S/C15H27N5O/c1-3-4-5-12(11(2)21)13(16)10-14(15(17)18)20-8-6-19-7-9-20/h4-5,10,19,21H,3,6-9,16-18H2,1-2H3/b5-4-,12-11-,13-10-
InChIKeyMQAVQKGPKDMORY-ORLPKTTFSA-N
XLogP0.62
TPSA113.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(5-Methylhepta-1,3,5-trien-2-yl)piperazine
CID 90950031
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
CID 138463352
(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840241
ethane;1-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]piperazine
CID 145529024
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
CID 146259255
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazine
CID 153631093
ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
CID 155746049
1-[2,2-Diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)
CID 163806260
1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine
CID 166971066
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
CID 168968776
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
CID 143561889

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol?
The IUPAC name of (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol (CID 168968812) is (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol?
The canonical SMILES for (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol is CC/C=C\C(\C(N)=C\C(=C(N)N)N1CCNCC1)=C(/C)O.
What is the InChIKey of (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol?
The InChIKey is MQAVQKGPKDMORY-ORLPKTTFSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-4-5-12(11(2)21)13(16)10-14(15(17)18)20-8-6-19-7-9-20/h4-5,10,19,21H,3,6-9,16-18H2,1-2H3/b5-4-,12-11-,13-10-.
What are the key properties of (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol?
(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol has a molecular weight of 293.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol is sourced from PubChem (CID 168968812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).