N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine

C7H19N3 — CID 10845260

IUPACN'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
SMILES[15NH2]CCC[15NH][13CH2]CC[13CH2][15NH2]
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i4+1,6+1,8+1,9+1,10+1
InChIKeyATHGHQPFGPMSJY-LFXUASNSSA-N
MW150.21 g/mol
LogP-0.34
Rot. Bonds7

About N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine

N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine (PubChem CID 10845260) has the molecular formula C7H19N3 and a molecular weight of 150.21 g/mol. Its IUPAC name is N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine.

Molecular Properties

Compound NameN'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
PubChem CID10845260
Molecular FormulaC7H19N3
Molecular Weight150.21 g/mol
Exact Mass150.16
IUPAC NameN'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
SMILES[15NH2]CCC[15NH][13CH2]CC[13CH2][15NH2]
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i4+1,6+1,8+1,9+1,10+1
InChIKeyATHGHQPFGPMSJY-LFXUASNSSA-N
XLogP-0.34
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
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-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'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
4-(3-aminopropylamino)butan-1-ol
CID 10725491
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040

Frequently Asked Questions

What is the IUPAC name of N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine?
The IUPAC name of N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine (CID 10845260) is N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine.
What is the SMILES notation for N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine?
The canonical SMILES for N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine is [15NH2]CCC[15NH][13CH2]CC[13CH2][15NH2].
What is the InChIKey of N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine?
The InChIKey is ATHGHQPFGPMSJY-LFXUASNSSA-N. The full InChI is InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i4+1,6+1,8+1,9+1,10+1.
What are the key properties of N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine?
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine has a molecular weight of 150.21 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine is sourced from PubChem (CID 10845260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).