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

C12H21N3 — CID 166686108

IUPAC(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(6-5-11(2)13)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+
InChIKeyDNGRHPPEMBWUKZ-JWUPWDRQSA-N
MW207.32 g/mol
LogP1.17
Rot. Bonds3

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

(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine (PubChem CID 166686108) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
PubChem CID166686108
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(6-5-11(2)13)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+
InChIKeyDNGRHPPEMBWUKZ-JWUPWDRQSA-N
XLogP1.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.17
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

1-methyl-4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]piperazine
CID 167243119
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
CID 176760810
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
CID 155721811
1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
CID 144786751
(2E,3E,5Z)-2-ethylidene-4-(4-methylpiperazin-1-yl)hepta-3,5-dienenitrile
CID 142101610
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 87688572

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine (CID 166686108) is (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C/C)N1CCN(C)CC1.
What is the InChIKey of (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine?
The InChIKey is DNGRHPPEMBWUKZ-JWUPWDRQSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(6-5-11(2)13)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+.
What are the key properties of (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine?
(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 166686108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).