(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine

C10H19N3 — CID 144562517

IUPAC(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILESCC/C=C\C(=N/C)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-4-5-10(11-2)13-8-6-12-7-9-13/h4-5,12H,3,6-9H2,1-2H3/b5-4-,11-10+
InChIKeyHEFDJZIQOMFTNJ-JWPKELMXSA-N
MW181.28 g/mol
LogP0.89
Rot. Bonds2

About (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine

(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine (PubChem CID 144562517) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
PubChem CID144562517
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILESCC/C=C\C(=N/C)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-4-5-10(11-2)13-8-6-12-7-9-13/h4-5,12H,3,6-9H2,1-2H3/b5-4-,11-10+
InChIKeyHEFDJZIQOMFTNJ-JWPKELMXSA-N
XLogP0.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
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2-[(E)-but-1-enyl]-4,5-dihydro-1H-imidazole
CID 15471712
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
CID 70309686
2-[(Z)-but-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 89851124
N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 123212426
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
1-(2,3-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123693422
N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine
CID 129045666
1-(2,3-Dihydropyridin-6-yl)-4-propan-2-ylpiperazine
CID 129260234
N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 137058012

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine (CID 144562517) is (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine is CC/C=C\C(=N/C)N1CCNCC1.
What is the InChIKey of (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The InChIKey is HEFDJZIQOMFTNJ-JWPKELMXSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-5-10(11-2)13-8-6-12-7-9-13/h4-5,12H,3,6-9H2,1-2H3/b5-4-,11-10+.
What are the key properties of (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine?
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine is sourced from PubChem (CID 144562517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).