(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine

C10H19N3 — CID 162762932

IUPAC(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine
SMILES[H]/N=C/C(=C\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-3-4-10(9-11)13-7-5-12(2)6-8-13/h4,9,11H,3,5-8H2,1-2H3/b10-4+,11-9+
InChIKeyJLTAHVCPEURCRT-YZUAGEKXSA-N
MW181.28 g/mol
LogP1.18
Rot. Bonds3

About (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine

(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine (PubChem CID 162762932) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine
PubChem CID162762932
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine
SMILES[H]/N=C/C(=C\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-3-4-10(9-11)13-7-5-12(2)6-8-13/h4,9,11H,3,5-8H2,1-2H3/b10-4+,11-9+
InChIKeyJLTAHVCPEURCRT-YZUAGEKXSA-N
XLogP1.18
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064
1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
CID 139449171
(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 142400462

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The IUPAC name of (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine (CID 162762932) is (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine.
What is the SMILES notation for (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The canonical SMILES for (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine is [H]/N=C/C(=C\CC)N1CCN(C)CC1.
What is the InChIKey of (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The InChIKey is JLTAHVCPEURCRT-YZUAGEKXSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-10(9-11)13-7-5-12(2)6-8-13/h4,9,11H,3,5-8H2,1-2H3/b10-4+,11-9+.
What are the key properties of (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine is sourced from PubChem (CID 162762932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).