N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine

C10H19N3 — CID 170065630

IUPACN-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine
SMILESC=C/N=C(\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h5H,2,4,6-9H2,1,3H3/b11-10+
InChIKeyXYUZSSTYWSAUCP-ZHACJKMWSA-N
MW181.28 g/mol
LogP1.19
Rot. Bonds2

About N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine

N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine (PubChem CID 170065630) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine
PubChem CID170065630
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine
SMILESC=C/N=C(\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h5H,2,4,6-9H2,1,3H3/b11-10+
InChIKeyXYUZSSTYWSAUCP-ZHACJKMWSA-N
XLogP1.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine?
The IUPAC name of N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine (CID 170065630) is N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine is C=C/N=C(\CC)N1CCN(C)CC1.
What is the InChIKey of N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine?
The InChIKey is XYUZSSTYWSAUCP-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h5H,2,4,6-9H2,1,3H3/b11-10+.
What are the key properties of N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine?
N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine has a molecular weight of 181.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 170065630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).