N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine

C10H26N4 — CID 23635842

IUPACN,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine
SMILES[2H]C([2H])(N)CC([2H])([2H])NCCCCNC([2H])([2H])CC([2H])([2H])N
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/i5D2,6D2,9D2,10D2
InChIKeyPFNFFQXMRSDOHW-FBUPCRGOSA-N
MW210.39 g/mol
LogP-0.36
Rot. Bonds11

About N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine

N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine (PubChem CID 23635842) has the molecular formula C10H26N4 and a molecular weight of 210.39 g/mol. Its IUPAC name is N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine
PubChem CID23635842
Molecular FormulaC10H26N4
Molecular Weight210.39 g/mol
Exact Mass210.27
IUPAC NameN,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine
SMILES[2H]C([2H])(N)CC([2H])([2H])NCCCCNC([2H])([2H])CC([2H])([2H])N
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/i5D2,6D2,9D2,10D2
InChIKeyPFNFFQXMRSDOHW-FBUPCRGOSA-N
XLogP-0.36
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-hydrazinylpentyl)ethane-1,2-diamine
CID 159881445
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
CID 131708610
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine
CID 138454344
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine (CID 23635842) is N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine is [2H]C([2H])(N)CC([2H])([2H])NCCCCNC([2H])([2H])CC([2H])([2H])N.
What is the InChIKey of N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine?
The InChIKey is PFNFFQXMRSDOHW-FBUPCRGOSA-N. The full InChI is InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/i5D2,6D2,9D2,10D2.
What are the key properties of N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine?
N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine has a molecular weight of 210.39 g/mol, XLogP of -0.36, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-amino-1,1,3,3-tetradeuteriopropyl)butane-1,4-diamine is sourced from PubChem (CID 23635842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).