(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine

C9H19N3 — CID 45378749

IUPAC(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine
SMILESCC(C)/C=N/N1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-9(2)8-10-12-6-4-11(3)5-7-12/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyIDARIWQHQMDWGS-CSKARUKUSA-N
MW169.27 g/mol
LogP0.88
Rot. Bonds2

About (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine

(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine (PubChem CID 45378749) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine
PubChem CID45378749
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine
SMILESCC(C)/C=N/N1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-9(2)8-10-12-6-4-11(3)5-7-12/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyIDARIWQHQMDWGS-CSKARUKUSA-N
XLogP0.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(4-methylpiperazin-1-yl)ethanimine
CID 53996455
(E)-N-(4-propylpiperazin-1-yl)ethanimine
CID 57950808
(Z)-N-(4-propylpiperazin-1-yl)ethanimine
CID 90836574
(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine
CID 139552224
(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
CID 139552229
(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
CID 139552231
ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
CID 153348512
(E)-N-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine
CID 153348556
(E)-N-(4-methylpiperazin-1-yl)propan-1-imine
CID 153348561
ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
CID 153348571
(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine
CID 153348574
(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine
CID 155155153

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine (CID 45378749) is (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine is CC(C)/C=N/N1CCN(C)CC1.
What is the InChIKey of (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine?
The InChIKey is IDARIWQHQMDWGS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2)8-10-12-6-4-11(3)5-7-12/h8-9H,4-7H2,1-3H3/b10-8+.
What are the key properties of (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine?
(E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(4-methylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 45378749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).