N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine

C3H10I2N2P2 — CID 166766113

IUPACN,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine
SMILESPN(I)CCCN(P)I
InChIInChI=1S/C3H10I2N2P2/c4-6(8)2-1-3-7(5)9/h1-3,8-9H2
InChIKeyRGVOODCNHYCJFY-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.26
Rot. Bonds4

About N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine

N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine (PubChem CID 166766113) has the molecular formula C3H10I2N2P2 and a molecular weight of 389.88 g/mol. Its IUPAC name is N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine
PubChem CID166766113
Molecular FormulaC3H10I2N2P2
Molecular Weight389.88 g/mol
Exact Mass389.84
IUPAC NameN,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine
SMILESPN(I)CCCN(P)I
InChIInChI=1S/C3H10I2N2P2/c4-6(8)2-1-3-7(5)9/h1-3,8-9H2
InChIKeyRGVOODCNHYCJFY-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
CID 155240108
N,N-diiodopentan-1-amine
CID 87126049
N,N,N',N'-tetrakis(phosphanyl)ethane-1,2-diamine
CID 141045248
6-[methyl(phosphanyl)amino]hexanal
CID 146297565
N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine
CID 58300614
N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine
CID 129274493
N,N,N',N'-tetrakis(ethenyl)butane-1,4-diamine
CID 149434402
N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine
CID 58300630
3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
CID 102469282
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N,N,N',N'-tetrakis[2-[bis(2-iodoethyl)amino]ethyl]butane-1,4-diamine
CID 58300626
N-butyl-N-iodobutan-1-amine
CID 19800845

Frequently Asked Questions

What is the IUPAC name of N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine?
The IUPAC name of N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine (CID 166766113) is N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine?
The canonical SMILES for N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine is PN(I)CCCN(P)I.
What is the InChIKey of N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine?
The InChIKey is RGVOODCNHYCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10I2N2P2/c4-6(8)2-1-3-7(5)9/h1-3,8-9H2.
What are the key properties of N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine?
N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine has a molecular weight of 389.88 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine is sourced from PubChem (CID 166766113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).