N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine

C32H40N6 — CID 15520571

IUPACN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine
SMILESc1ccc(CCN(CCCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C32H40N6/c1-5-19-33-29(11-1)15-25-37(26-16-30-12-2-6-20-34-30)23-9-10-24-38(27-17-31-13-3-7-21-35-31)28-18-32-14-4-8-22-36-32/h1-8,11-14,19-22H,9-10,15-18,23-28H2
InChIKeyIFUQIEXEVCFFBW-UHFFFAOYSA-N
MW508.71 g/mol
LogP4.92
Rot. Bonds17

About N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine

N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine (PubChem CID 15520571) has the molecular formula C32H40N6 and a molecular weight of 508.71 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine
PubChem CID15520571
Molecular FormulaC32H40N6
Molecular Weight508.71 g/mol
Exact Mass508.33
IUPAC NameN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine
SMILESc1ccc(CCN(CCCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C32H40N6/c1-5-19-33-29(11-1)15-25-37(26-16-30-12-2-6-20-34-30)23-9-10-24-38(27-17-31-13-3-7-21-35-31)28-18-32-14-4-8-22-36-32/h1-8,11-14,19-22H,9-10,15-18,23-28H2
InChIKeyIFUQIEXEVCFFBW-UHFFFAOYSA-N
XLogP4.92
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.71
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine?
The IUPAC name of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine (CID 15520571) is N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine is c1ccc(CCN(CCCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1.
What is the InChIKey of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine?
The InChIKey is IFUQIEXEVCFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6/c1-5-19-33-29(11-1)15-25-37(26-16-30-12-2-6-20-34-30)23-9-10-24-38(27-17-31-13-3-7-21-35-31)28-18-32-14-4-8-22-36-32/h1-8,11-14,19-22H,9-10,15-18,23-28H2.
What are the key properties of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine?
N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine has a molecular weight of 508.71 g/mol, XLogP of 4.92, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 15520571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).