4-methylpenta-1,3-diene;1-propylpiperazine

C13H26N2 — CID 142068164

IUPAC4-methylpenta-1,3-diene;1-propylpiperazine
SMILESC=CC=C(C)C.CCCN1CCNCC1
InChIInChI=1S/C7H16N2.C6H10/c1-2-5-9-6-3-8-4-7-9;1-4-5-6(2)3/h8H,2-7H2,1H3;4-5H,1H2,2-3H3
InChIKeyPIWMUBJJYMQVFE-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.44
Rot. Bonds3

About 4-methylpenta-1,3-diene;1-propylpiperazine

4-methylpenta-1,3-diene;1-propylpiperazine (PubChem CID 142068164) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-methylpenta-1,3-diene;1-propylpiperazine.

Molecular Properties

Compound Name4-methylpenta-1,3-diene;1-propylpiperazine
PubChem CID142068164
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-methylpenta-1,3-diene;1-propylpiperazine
SMILESC=CC=C(C)C.CCCN1CCNCC1
InChIInChI=1S/C7H16N2.C6H10/c1-2-5-9-6-3-8-4-7-9;1-4-5-6(2)3/h8H,2-7H2,1H3;4-5H,1H2,2-3H3
InChIKeyPIWMUBJJYMQVFE-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;1-propylpiperazine;dibromide
CID 91980567
1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448
(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
CID 142137280
1-tricosylpiperazine
CID 130183651
piperidine;1-propylpiperidine
CID 67843364
1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol
CID 145119463
ethene;2-piperazin-1-ylethanol
CID 175244492
prop-1-ene;1-propylpyrrolidine
CID 143531885
ethane;1-octylpiperazine
CID 144711845
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
CID 129043366
methanamine;2-piperazin-1-ylethanol
CID 142253011
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,3-diene;1-propylpiperazine?
The IUPAC name of 4-methylpenta-1,3-diene;1-propylpiperazine (CID 142068164) is 4-methylpenta-1,3-diene;1-propylpiperazine.
What is the SMILES notation for 4-methylpenta-1,3-diene;1-propylpiperazine?
The canonical SMILES for 4-methylpenta-1,3-diene;1-propylpiperazine is C=CC=C(C)C.CCCN1CCNCC1.
What is the InChIKey of 4-methylpenta-1,3-diene;1-propylpiperazine?
The InChIKey is PIWMUBJJYMQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H10/c1-2-5-9-6-3-8-4-7-9;1-4-5-6(2)3/h8H,2-7H2,1H3;4-5H,1H2,2-3H3.
What are the key properties of 4-methylpenta-1,3-diene;1-propylpiperazine?
4-methylpenta-1,3-diene;1-propylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-diene;1-propylpiperazine is sourced from PubChem (CID 142068164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).