N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine

C14H31N3 — CID 64707567

IUPACN-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine
SMILESCCCN1CCN(C(C)CC(C)NCC)CC1
InChIInChI=1S/C14H31N3/c1-5-7-16-8-10-17(11-9-16)14(4)12-13(3)15-6-2/h13-15H,5-12H2,1-4H3
InChIKeyXJVOFNOGSJMYLN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine

N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine (PubChem CID 64707567) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine
PubChem CID64707567
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine
SMILESCCCN1CCN(C(C)CC(C)NCC)CC1
InChIInChI=1S/C14H31N3/c1-5-7-16-8-10-17(11-9-16)14(4)12-13(3)15-6-2/h13-15H,5-12H2,1-4H3
InChIKeyXJVOFNOGSJMYLN-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine (CID 64707567) is N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine is CCCN1CCN(C(C)CC(C)NCC)CC1.
What is the InChIKey of N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine?
The InChIKey is XJVOFNOGSJMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-7-16-8-10-17(11-9-16)14(4)12-13(3)15-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine?
N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 64707567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).