4-hex-5-enyl-3,5-dimethylpiperazin-1-amine

C12H25N3 — CID 142327688

IUPAC4-hex-5-enyl-3,5-dimethylpiperazin-1-amine
SMILESC=CCCCCN1C(C)CN(N)CC1C
InChIInChI=1S/C12H25N3/c1-4-5-6-7-8-15-11(2)9-14(13)10-12(15)3/h4,11-12H,1,5-10,13H2,2-3H3
InChIKeyGBOCXGJUQKIEHG-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.61
Rot. Bonds5

About 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine

4-hex-5-enyl-3,5-dimethylpiperazin-1-amine (PubChem CID 142327688) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine.

Molecular Properties

Compound Name4-hex-5-enyl-3,5-dimethylpiperazin-1-amine
PubChem CID142327688
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-hex-5-enyl-3,5-dimethylpiperazin-1-amine
SMILESC=CCCCCN1C(C)CN(N)CC1C
InChIInChI=1S/C12H25N3/c1-4-5-6-7-8-15-11(2)9-14(13)10-12(15)3/h4,11-12H,1,5-10,13H2,2-3H3
InChIKeyGBOCXGJUQKIEHG-UHFFFAOYSA-N
XLogP1.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine?
The IUPAC name of 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine (CID 142327688) is 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine.
What is the SMILES notation for 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine?
The canonical SMILES for 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine is C=CCCCCN1C(C)CN(N)CC1C.
What is the InChIKey of 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine?
The InChIKey is GBOCXGJUQKIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-5-6-7-8-15-11(2)9-14(13)10-12(15)3/h4,11-12H,1,5-10,13H2,2-3H3.
What are the key properties of 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine?
4-hex-5-enyl-3,5-dimethylpiperazin-1-amine has a molecular weight of 211.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-enyl-3,5-dimethylpiperazin-1-amine is sourced from PubChem (CID 142327688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).