3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide

C13H25N4- — CID 142409573

IUPAC3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide
SMILES[H]/N=C/C(C)=C\[N-]CCCN1CCN(CC)CC1
InChIInChI=1S/C13H25N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12,14H,3-10H2,1-2H3/q-1/b13-12-,14-11+
InChIKeyUHMHAMUBGDXZOM-OGHGCCBLSA-N
MW237.37 g/mol
LogP1.94
Rot. Bonds7

About 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide

3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide (PubChem CID 142409573) has the molecular formula C13H25N4- and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide
PubChem CID142409573
Molecular FormulaC13H25N4-
Molecular Weight237.37 g/mol
Exact Mass237.21
IUPAC Name3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide
SMILES[H]/N=C/C(C)=C\[N-]CCCN1CCN(CC)CC1
InChIInChI=1S/C13H25N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12,14H,3-10H2,1-2H3/q-1/b13-12-,14-11+
InChIKeyUHMHAMUBGDXZOM-OGHGCCBLSA-N
XLogP1.94
TPSA44.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide (CID 142409573) is 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide is [H]/N=C/C(C)=C\[N-]CCCN1CCN(CC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide?
The InChIKey is UHMHAMUBGDXZOM-OGHGCCBLSA-N. The full InChI is InChI=1S/C13H25N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12,14H,3-10H2,1-2H3/q-1/b13-12-,14-11+.
What are the key properties of 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide?
3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide has a molecular weight of 237.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)propyl-[(Z)-3-imino-2-methylprop-1-enyl]azanide is sourced from PubChem (CID 142409573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).