N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine

C22H52GeN4S2 — CID 16684693

IUPACN'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine
SMILESCC(C)CC[Ge](CCC(C)C)(SC(C)CNCCCN)SC(C)CNCCCN
InChIInChI=1S/C22H52GeN4S2/c1-19(2)9-11-23(12-10-20(3)4,28-21(5)17-26-15-7-13-24)29-22(6)18-27-16-8-14-25/h19-22,26-27H,7-18,24-25H2,1-6H3
InChIKeyAYCIAYKDGXXRIA-UHFFFAOYSA-N
MW509.43 g/mol
LogP4.64
Rot. Bonds20

About N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine

N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine (PubChem CID 16684693) has the molecular formula C22H52GeN4S2 and a molecular weight of 509.43 g/mol. Its IUPAC name is N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine
PubChem CID16684693
Molecular FormulaC22H52GeN4S2
Molecular Weight509.43 g/mol
Exact Mass510.28
IUPAC NameN'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine
SMILESCC(C)CC[Ge](CCC(C)C)(SC(C)CNCCCN)SC(C)CNCCCN
InChIInChI=1S/C22H52GeN4S2/c1-19(2)9-11-23(12-10-20(3)4,28-21(5)17-26-15-7-13-24)29-22(6)18-27-16-8-14-25/h19-22,26-27H,7-18,24-25H2,1-6H3
InChIKeyAYCIAYKDGXXRIA-UHFFFAOYSA-N
XLogP4.64
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.43
LogP ≤ 54.64
H-Bond Donors ≤ 54
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'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine?
The IUPAC name of N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine (CID 16684693) is N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine is CC(C)CC[Ge](CCC(C)C)(SC(C)CNCCCN)SC(C)CNCCCN.
What is the InChIKey of N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine?
The InChIKey is AYCIAYKDGXXRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52GeN4S2/c1-19(2)9-11-23(12-10-20(3)4,28-21(5)17-26-15-7-13-24)29-22(6)18-27-16-8-14-25/h19-22,26-27H,7-18,24-25H2,1-6H3.
What are the key properties of N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine?
N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine has a molecular weight of 509.43 g/mol, XLogP of 4.64, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(3-aminopropylamino)propan-2-ylsulfanyl-bis(3-methylbutyl)germyl]sulfanylpropyl]propane-1,3-diamine is sourced from PubChem (CID 16684693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).