N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride

C10H30Cl4N4 — CID 9384

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
InChIKeyXLDKUDAXZWHPFH-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.33
Rot. Bonds11

About N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride

N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride (PubChem CID 9384) has the molecular formula C10H30Cl4N4 and a molecular weight of 348.19 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride
PubChem CID9384
Molecular FormulaC10H30Cl4N4
Molecular Weight348.19 g/mol
Exact Mass346.12
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
InChIKeyXLDKUDAXZWHPFH-UHFFFAOYSA-N
XLogP1.33
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride (CID 9384) is N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride?
The InChIKey is XLDKUDAXZWHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H.
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride?
N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride has a molecular weight of 348.19 g/mol, XLogP of 1.33, 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-aminopropyl)butane-1,4-diamine;tetrahydrochloride is sourced from PubChem (CID 9384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).