N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine

C7H19N3 — CID 138454344

IUPACN'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine
SMILES[2H]N([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CNCCCN
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i1D2,2D2,4D2/hD2
InChIKeyATHGHQPFGPMSJY-JTWCLIAZSA-N
MW153.30 g/mol
LogP-0.34
Rot. Bonds8

About N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine

N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine (PubChem CID 138454344) has the molecular formula C7H19N3 and a molecular weight of 153.30 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine
PubChem CID138454344
Molecular FormulaC7H19N3
Molecular Weight153.30 g/mol
Exact Mass153.21
IUPAC NameN'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine
SMILES[2H]N([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CNCCCN
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i1D2,2D2,4D2/hD2
InChIKeyATHGHQPFGPMSJY-JTWCLIAZSA-N
XLogP-0.34
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
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
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine?
The IUPAC name of N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine (CID 138454344) is N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine is [2H]N([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CNCCCN.
What is the InChIKey of N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine?
The InChIKey is ATHGHQPFGPMSJY-JTWCLIAZSA-N. The full InChI is InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i1D2,2D2,4D2/hD2.
What are the key properties of N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine?
N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine has a molecular weight of 153.30 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine is sourced from PubChem (CID 138454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).