4-pentyl-N-prop-2-enylpiperazin-1-amine

C12H25N3 — CID 69247005

IUPAC4-pentyl-N-prop-2-enylpiperazin-1-amine
SMILESC=CCNN1CCN(CCCCC)CC1
InChIInChI=1S/C12H25N3/c1-3-5-6-8-14-9-11-15(12-10-14)13-7-4-2/h4,13H,2-3,5-12H2,1H3
InChIKeyNUHMAKCJVCGBNX-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.48
Rot. Bonds7

About 4-pentyl-N-prop-2-enylpiperazin-1-amine

4-pentyl-N-prop-2-enylpiperazin-1-amine (PubChem CID 69247005) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-pentyl-N-prop-2-enylpiperazin-1-amine.

Molecular Properties

Compound Name4-pentyl-N-prop-2-enylpiperazin-1-amine
PubChem CID69247005
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-pentyl-N-prop-2-enylpiperazin-1-amine
SMILESC=CCNN1CCN(CCCCC)CC1
InChIInChI=1S/C12H25N3/c1-3-5-6-8-14-9-11-15(12-10-14)13-7-4-2/h4,13H,2-3,5-12H2,1H3
InChIKeyNUHMAKCJVCGBNX-UHFFFAOYSA-N
XLogP1.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-prop-2-enylpiperazin-1-amine?
The IUPAC name of 4-pentyl-N-prop-2-enylpiperazin-1-amine (CID 69247005) is 4-pentyl-N-prop-2-enylpiperazin-1-amine.
What is the SMILES notation for 4-pentyl-N-prop-2-enylpiperazin-1-amine?
The canonical SMILES for 4-pentyl-N-prop-2-enylpiperazin-1-amine is C=CCNN1CCN(CCCCC)CC1.
What is the InChIKey of 4-pentyl-N-prop-2-enylpiperazin-1-amine?
The InChIKey is NUHMAKCJVCGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-5-6-8-14-9-11-15(12-10-14)13-7-4-2/h4,13H,2-3,5-12H2,1H3.
What are the key properties of 4-pentyl-N-prop-2-enylpiperazin-1-amine?
4-pentyl-N-prop-2-enylpiperazin-1-amine has a molecular weight of 211.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-prop-2-enylpiperazin-1-amine is sourced from PubChem (CID 69247005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).