(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine

C14H25N3 — CID 155721811

IUPAC(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C(=C\C(=C)N1CCN(C)CC1)CCC
InChIInChI=1S/C14H25N3/c1-5-6-14(13(3)15)11-12(2)17-9-7-16(4)8-10-17/h11H,2-3,5-10,15H2,1,4H3/b14-11-
InChIKeyWGJATFJUWKRGIN-KAMYIIQDSA-N
MW235.37 g/mol
LogP1.95
Rot. Bonds5

About (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine

(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine (PubChem CID 155721811) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
PubChem CID155721811
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C(=C\C(=C)N1CCN(C)CC1)CCC
InChIInChI=1S/C14H25N3/c1-5-6-14(13(3)15)11-12(2)17-9-7-16(4)8-10-17/h11H,2-3,5-10,15H2,1,4H3/b14-11-
InChIKeyWGJATFJUWKRGIN-KAMYIIQDSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
2-[(3Z)-2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hepta-1,3-dien-4-yl]guanidine
CID 89250349
1-methyl-4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]piperazine
CID 167243119
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
[(Z)-2-methylidenehex-3-enyl] N-methyl-N-[(2S,3E)-3-methyl-5-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-yl]carbamate
CID 129067007
1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine
CID 144697900
N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 170065630

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine (CID 155721811) is (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine is C=C(N)/C(=C\C(=C)N1CCN(C)CC1)CCC.
What is the InChIKey of (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine?
The InChIKey is WGJATFJUWKRGIN-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-14(13(3)15)11-12(2)17-9-7-16(4)8-10-17/h11H,2-3,5-10,15H2,1,4H3/b14-11-.
What are the key properties of (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine?
(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine has a molecular weight of 235.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 155721811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).