2,2-bis(3-aminopropyl)piperazine-1,3-diamine

C10H26N6 — CID 174978898

IUPAC2,2-bis(3-aminopropyl)piperazine-1,3-diamine
SMILESNCCCC1(CCCN)C(N)NCCN1N
InChIInChI=1S/C10H26N6/c11-5-1-3-10(4-2-6-12)9(13)15-7-8-16(10)14/h9,15H,1-8,11-14H2
InChIKeyQUYSXSYAYWRAPH-UHFFFAOYSA-N
MW230.36 g/mol
LogP-1.73
Rot. Bonds6

About 2,2-bis(3-aminopropyl)piperazine-1,3-diamine

2,2-bis(3-aminopropyl)piperazine-1,3-diamine (PubChem CID 174978898) has the molecular formula C10H26N6 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2,2-bis(3-aminopropyl)piperazine-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(3-aminopropyl)piperazine-1,3-diamine
PubChem CID174978898
Molecular FormulaC10H26N6
Molecular Weight230.36 g/mol
Exact Mass230.22
IUPAC Name2,2-bis(3-aminopropyl)piperazine-1,3-diamine
SMILESNCCCC1(CCCN)C(N)NCCN1N
InChIInChI=1S/C10H26N6/c11-5-1-3-10(4-2-6-12)9(13)15-7-8-16(10)14/h9,15H,1-8,11-14H2
InChIKeyQUYSXSYAYWRAPH-UHFFFAOYSA-N
XLogP-1.73
TPSA119.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-aminopropyl)piperazine-1,3-diamine?
The IUPAC name of 2,2-bis(3-aminopropyl)piperazine-1,3-diamine (CID 174978898) is 2,2-bis(3-aminopropyl)piperazine-1,3-diamine.
What is the SMILES notation for 2,2-bis(3-aminopropyl)piperazine-1,3-diamine?
The canonical SMILES for 2,2-bis(3-aminopropyl)piperazine-1,3-diamine is NCCCC1(CCCN)C(N)NCCN1N.
What is the InChIKey of 2,2-bis(3-aminopropyl)piperazine-1,3-diamine?
The InChIKey is QUYSXSYAYWRAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N6/c11-5-1-3-10(4-2-6-12)9(13)15-7-8-16(10)14/h9,15H,1-8,11-14H2.
What are the key properties of 2,2-bis(3-aminopropyl)piperazine-1,3-diamine?
2,2-bis(3-aminopropyl)piperazine-1,3-diamine has a molecular weight of 230.36 g/mol, XLogP of -1.73, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-aminopropyl)piperazine-1,3-diamine is sourced from PubChem (CID 174978898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).