3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine

C22H47N5 — CID 69028178

IUPAC3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
SMILESCCCCN1CCN(CCCNCCCN2CCN(CCCC)CC2)CC1
InChIInChI=1S/C22H47N5/c1-3-5-11-24-15-19-26(20-16-24)13-7-9-23-10-8-14-27-21-17-25(18-22-27)12-6-4-2/h23H,3-22H2,1-2H3
InChIKeyKGPLEBVCEFDCSX-UHFFFAOYSA-N
MW381.65 g/mol
LogP2.19
Rot. Bonds14

About 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine

3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine (PubChem CID 69028178) has the molecular formula C22H47N5 and a molecular weight of 381.65 g/mol. Its IUPAC name is 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
PubChem CID69028178
Molecular FormulaC22H47N5
Molecular Weight381.65 g/mol
Exact Mass381.38
IUPAC Name3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
SMILESCCCCN1CCN(CCCNCCCN2CCN(CCCC)CC2)CC1
InChIInChI=1S/C22H47N5/c1-3-5-11-24-15-19-26(20-16-24)13-7-9-23-10-8-14-27-21-17-25(18-22-27)12-6-4-2/h23H,3-22H2,1-2H3
InChIKeyKGPLEBVCEFDCSX-UHFFFAOYSA-N
XLogP2.19
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine with MolForge

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine?
The IUPAC name of 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine (CID 69028178) is 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine?
The canonical SMILES for 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine is CCCCN1CCN(CCCNCCCN2CCN(CCCC)CC2)CC1.
What is the InChIKey of 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine?
The InChIKey is KGPLEBVCEFDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N5/c1-3-5-11-24-15-19-26(20-16-24)13-7-9-23-10-8-14-27-21-17-25(18-22-27)12-6-4-2/h23H,3-22H2,1-2H3.
What are the key properties of 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine?
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine has a molecular weight of 381.65 g/mol, XLogP of 2.19, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 69028178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).