N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine

C31H38N6 — CID 15520569

IUPACN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESc1ccc(CCN(CCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C31H38N6/c1-5-18-32-28(10-1)14-24-36(25-15-29-11-2-6-19-33-29)22-9-23-37(26-16-30-12-3-7-20-34-30)27-17-31-13-4-8-21-35-31/h1-8,10-13,18-21H,9,14-17,22-27H2
InChIKeyPAVSJKXXDLMPJI-UHFFFAOYSA-N
MW494.69 g/mol
LogP4.53
Rot. Bonds16

About N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine

N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 15520569) has the molecular formula C31H38N6 and a molecular weight of 494.69 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID15520569
Molecular FormulaC31H38N6
Molecular Weight494.69 g/mol
Exact Mass494.32
IUPAC NameN,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESc1ccc(CCN(CCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C31H38N6/c1-5-18-32-28(10-1)14-24-36(25-15-29-11-2-6-19-33-29)22-9-23-37(26-16-30-12-3-7-20-34-30)27-17-31-13-4-8-21-35-31/h1-8,10-13,18-21H,9,14-17,22-27H2
InChIKeyPAVSJKXXDLMPJI-UHFFFAOYSA-N
XLogP4.53
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.69
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 15520569) is N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine is c1ccc(CCN(CCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1.
What is the InChIKey of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is PAVSJKXXDLMPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6/c1-5-18-32-28(10-1)14-24-36(25-15-29-11-2-6-19-33-29)22-9-23-37(26-16-30-12-3-7-20-34-30)27-17-31-13-4-8-21-35-31/h1-8,10-13,18-21H,9,14-17,22-27H2.
What are the key properties of N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine?
N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 494.69 g/mol, XLogP of 4.53, 16 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)propane-1,3-diamine is sourced from PubChem (CID 15520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).