3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine

C10H25N5 — CID 54264618

IUPAC3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine
SMILESCCC(N)(CN1CCNCC1)C(N)CN
InChIInChI=1S/C10H25N5/c1-2-10(13,9(12)7-11)8-15-5-3-14-4-6-15/h9,14H,2-8,11-13H2,1H3
InChIKeyRFWWOPOCGDEZKV-UHFFFAOYSA-N
MW215.34 g/mol
LogP-1.71
Rot. Bonds5

About 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine

3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine (PubChem CID 54264618) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine
PubChem CID54264618
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine
SMILESCCC(N)(CN1CCNCC1)C(N)CN
InChIInChI=1S/C10H25N5/c1-2-10(13,9(12)7-11)8-15-5-3-14-4-6-15/h9,14H,2-8,11-13H2,1H3
InChIKeyRFWWOPOCGDEZKV-UHFFFAOYSA-N
XLogP-1.71
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine?
The IUPAC name of 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine (CID 54264618) is 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine?
The canonical SMILES for 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine is CCC(N)(CN1CCNCC1)C(N)CN.
What is the InChIKey of 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine?
The InChIKey is RFWWOPOCGDEZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-2-10(13,9(12)7-11)8-15-5-3-14-4-6-15/h9,14H,2-8,11-13H2,1H3.
What are the key properties of 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine?
3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine has a molecular weight of 215.34 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine is sourced from PubChem (CID 54264618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).