4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine

C13H30N6 — CID 167027437

IUPAC4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine
SMILESNC1CCN(CCNCCNC2CCN(N)CC2)C1
InChIInChI=1S/C13H30N6/c14-12-1-7-18(11-12)10-6-16-4-5-17-13-2-8-19(15)9-3-13/h12-13,16-17H,1-11,14-15H2
InChIKeyQEMGYGLLFVSCCY-UHFFFAOYSA-N
MW270.42 g/mol
LogP-1.46
Rot. Bonds7

About 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine

4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine (PubChem CID 167027437) has the molecular formula C13H30N6 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine
PubChem CID167027437
Molecular FormulaC13H30N6
Molecular Weight270.42 g/mol
Exact Mass270.25
IUPAC Name4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine
SMILESNC1CCN(CCNCCNC2CCN(N)CC2)C1
InChIInChI=1S/C13H30N6/c14-12-1-7-18(11-12)10-6-16-4-5-17-13-2-8-19(15)9-3-13/h12-13,16-17H,1-11,14-15H2
InChIKeyQEMGYGLLFVSCCY-UHFFFAOYSA-N
XLogP-1.46
TPSA82.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine?
The IUPAC name of 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine (CID 167027437) is 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine?
The canonical SMILES for 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine is NC1CCN(CCNCCNC2CCN(N)CC2)C1.
What is the InChIKey of 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine?
The InChIKey is QEMGYGLLFVSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N6/c14-12-1-7-18(11-12)10-6-16-4-5-17-13-2-8-19(15)9-3-13/h12-13,16-17H,1-11,14-15H2.
What are the key properties of 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine?
4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine has a molecular weight of 270.42 g/mol, XLogP of -1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine is sourced from PubChem (CID 167027437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).