N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine

C13H29N3O — CID 135181884

IUPACN-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine
SMILESCCC(C)OCCNCCCN1CCNCC1
InChIInChI=1S/C13H29N3O/c1-3-13(2)17-12-8-14-5-4-9-16-10-6-15-7-11-16/h13-15H,3-12H2,1-2H3
InChIKeyBSKSFGPFDQBURY-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.69
Rot. Bonds9

About N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine

N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 135181884) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine
PubChem CID135181884
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine
SMILESCCC(C)OCCNCCCN1CCNCC1
InChIInChI=1S/C13H29N3O/c1-3-13(2)17-12-8-14-5-4-9-16-10-6-15-7-11-16/h13-15H,3-12H2,1-2H3
InChIKeyBSKSFGPFDQBURY-UHFFFAOYSA-N
XLogP0.69
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine (CID 135181884) is N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine is CCC(C)OCCNCCCN1CCNCC1.
What is the InChIKey of N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is BSKSFGPFDQBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-13(2)17-12-8-14-5-4-9-16-10-6-15-7-11-16/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine?
N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 135181884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).