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

C14H32N4 — CID 71001816

IUPACN-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCCNC(CC)N1CCN(C(CC)NCC)CC1
InChIInChI=1S/C14H32N4/c1-5-13(15-7-3)17-9-11-18(12-10-17)14(6-2)16-8-4/h13-16H,5-12H2,1-4H3
InChIKeyVWGKJEXWAQUHGY-UHFFFAOYSA-N
MW256.44 g/mol
LogP1.30
Rot. Bonds8

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

N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 71001816) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID71001816
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC NameN-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCCNC(CC)N1CCN(C(CC)NCC)CC1
InChIInChI=1S/C14H32N4/c1-5-13(15-7-3)17-9-11-18(12-10-17)14(6-2)16-8-4/h13-16H,5-12H2,1-4H3
InChIKeyVWGKJEXWAQUHGY-UHFFFAOYSA-N
XLogP1.30
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine (CID 71001816) is N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine is CCNC(CC)N1CCN(C(CC)NCC)CC1.
What is the InChIKey of N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is VWGKJEXWAQUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-5-13(15-7-3)17-9-11-18(12-10-17)14(6-2)16-8-4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine?
N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 71001816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).