N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine

C14H25N3 — CID 145198390

IUPACN-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCC)CC1
InChIInChI=1S/C14H25N3/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3/h11H,2,4-10,12H2,1,3H3/b15-11+
InChIKeyYQYGQRRXZWTRQD-RVDMUPIBSA-N
MW235.37 g/mol
LogP2.17
Rot. Bonds6

About N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine

N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine (PubChem CID 145198390) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
PubChem CID145198390
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCC)CC1
InChIInChI=1S/C14H25N3/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3/h11H,2,4-10,12H2,1,3H3/b15-11+
InChIKeyYQYGQRRXZWTRQD-RVDMUPIBSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.17
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

N-methyl-N-[4-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]piperazin-1-yl]sulfanylmethanamine
CID 134406069
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197690
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197719
ethane;2-[(4-ethylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197763
N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
CID 145197924
(Z)-N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)but-2-en-1-imine;ethane
CID 145197956
ethane;2-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198170
2-[4-[2-(Prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
CID 145198212
ethane;2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198328

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The IUPAC name of N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine (CID 145198390) is N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine.
What is the SMILES notation for N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The canonical SMILES for N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCN(CCC)CC1.
What is the InChIKey of N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The InChIKey is YQYGQRRXZWTRQD-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3/h11H,2,4-10,12H2,1,3H3/b15-11+.
What are the key properties of N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine has a molecular weight of 235.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine is sourced from PubChem (CID 145198390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).