N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine

C14H32N4 — CID 14056756

IUPACN-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCCNCCCN1CCN(CCCNCC)CC1
InChIInChI=1S/C14H32N4/c1-3-15-7-5-9-17-11-13-18(14-12-17)10-6-8-16-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDBQLHVSPJXDCIF-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.60
Rot. Bonds10

About N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine

N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 14056756) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID14056756
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC NameN-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCCNCCCN1CCN(CCCNCC)CC1
InChIInChI=1S/C14H32N4/c1-3-15-7-5-9-17-11-13-18(14-12-17)10-6-8-16-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDBQLHVSPJXDCIF-UHFFFAOYSA-N
XLogP0.60
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.60
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-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine (CID 14056756) is N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine is CCNCCCN1CCN(CCCNCC)CC1.
What is the InChIKey of N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is DBQLHVSPJXDCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-3-15-7-5-9-17-11-13-18(14-12-17)10-6-8-16-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[3-(ethylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 14056756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).