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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Related Compounds

N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170174
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114
N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
CID 83963223
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103815407
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320

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).