N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine

C15H30N4 — CID 123947681

IUPACN,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
SMILES[H]/N=C(C)/C=C(\C)N1CCN(CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13,16H,5-12H2,1-4H3/b15-13+,16-14+
InChIKeyAXGWKBKADMDBDJ-WXUKJITCSA-N
MW266.43 g/mol
LogP1.89
Rot. Bonds7

About N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine

N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine (PubChem CID 123947681) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
PubChem CID123947681
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
SMILES[H]/N=C(C)/C=C(\C)N1CCN(CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13,16H,5-12H2,1-4H3/b15-13+,16-14+
InChIKeyAXGWKBKADMDBDJ-WXUKJITCSA-N
XLogP1.89
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine (CID 123947681) is N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine is [H]/N=C(C)/C=C(\C)N1CCN(CCN(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine?
The InChIKey is AXGWKBKADMDBDJ-WXUKJITCSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13,16H,5-12H2,1-4H3/b15-13+,16-14+.
What are the key properties of N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine?
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 123947681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).