2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine

C22H43N3 — CID 67929768

IUPAC2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine
SMILESCCCCC=CC1(CCN)C(=CCCCCC)N(CC)CCN1CC
InChIInChI=1S/C22H43N3/c1-5-9-11-13-15-21-22(17-18-23,16-14-12-10-6-2)25(8-4)20-19-24(21)7-3/h14-16H,5-13,17-20,23H2,1-4H3
InChIKeyIPOISQILODXDTC-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.94
Rot. Bonds12

About 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine

2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine (PubChem CID 67929768) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine
PubChem CID67929768
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine
SMILESCCCCC=CC1(CCN)C(=CCCCCC)N(CC)CCN1CC
InChIInChI=1S/C22H43N3/c1-5-9-11-13-15-21-22(17-18-23,16-14-12-10-6-2)25(8-4)20-19-24(21)7-3/h14-16H,5-13,17-20,23H2,1-4H3
InChIKeyIPOISQILODXDTC-UHFFFAOYSA-N
XLogP4.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

carbanide;2-[3-ethyl-2-[(8E,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanamine
CID 157225592
2-[3-ethyl-2-[(8E,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanamine
CID 118218153
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
henicos-9-en-1-amine
CID 154097370
(Z)-triacont-9-en-1-amine
CID 139626552
hexadec-4-en-1-amine
CID 123939288
(Z)-hexacos-9-en-1-amine
CID 139899136
(Z)-tetradec-7-en-1-amine
CID 10680019
hexacos-7-en-1-amine
CID 54386716

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine?
The IUPAC name of 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine (CID 67929768) is 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine?
The canonical SMILES for 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine is CCCCC=CC1(CCN)C(=CCCCCC)N(CC)CCN1CC.
What is the InChIKey of 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine?
The InChIKey is IPOISQILODXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-5-9-11-13-15-21-22(17-18-23,16-14-12-10-6-2)25(8-4)20-19-24(21)7-3/h14-16H,5-13,17-20,23H2,1-4H3.
What are the key properties of 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine?
2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine has a molecular weight of 349.61 g/mol, XLogP of 4.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine is sourced from PubChem (CID 67929768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).