3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine

C15H31N3 — CID 170569148

IUPAC3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCN(CCCCC)CC1)NC(C)C
InChIInChI=1S/C15H31N3/c1-5-6-7-8-17-9-11-18(12-10-17)13-15(4)16-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyAYCNDKRIKNEXKM-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.31
Rot. Bonds8

About 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine

3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine (PubChem CID 170569148) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine
PubChem CID170569148
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCN(CCCCC)CC1)NC(C)C
InChIInChI=1S/C15H31N3/c1-5-6-7-8-17-9-11-18(12-10-17)13-15(4)16-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyAYCNDKRIKNEXKM-UHFFFAOYSA-N
XLogP2.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine (CID 170569148) is 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCN(CCCCC)CC1)NC(C)C.
What is the InChIKey of 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is AYCNDKRIKNEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-6-7-8-17-9-11-18(12-10-17)13-15(4)16-14(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylpiperazin-1-yl)-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 170569148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).