(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine

C10H21N5 — CID 126734160

IUPAC(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine
SMILESCN(C)/C(N)=C(/C=C\N)N1CCNCC1
InChIInChI=1S/C10H21N5/c1-14(2)10(12)9(3-4-11)15-7-5-13-6-8-15/h3-4,13H,5-8,11-12H2,1-2H3/b4-3-,10-9-
InChIKeyDXCZCZLYPVYABT-RTAKVZRXSA-N
MW211.31 g/mol
LogP-0.95
Rot. Bonds3

About (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine

(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine (PubChem CID 126734160) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine
PubChem CID126734160
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine
SMILESCN(C)/C(N)=C(/C=C\N)N1CCNCC1
InChIInChI=1S/C10H21N5/c1-14(2)10(12)9(3-4-11)15-7-5-13-6-8-15/h3-4,13H,5-8,11-12H2,1-2H3/b4-3-,10-9-
InChIKeyDXCZCZLYPVYABT-RTAKVZRXSA-N
XLogP-0.95
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine (CID 126734160) is (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine is CN(C)/C(N)=C(/C=C\N)N1CCNCC1.
What is the InChIKey of (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is DXCZCZLYPVYABT-RTAKVZRXSA-N. The full InChI is InChI=1S/C10H21N5/c1-14(2)10(12)9(3-4-11)15-7-5-13-6-8-15/h3-4,13H,5-8,11-12H2,1-2H3/b4-3-,10-9-.
What are the key properties of (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine?
(1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 211.31 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N',1-N'-dimethyl-2-piperazin-1-ylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 126734160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).