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

C10H27ClN4 — CID 5351186

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4.ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;/h13-14H,1-12H2;1H
InChIKeyKBDDIZRDKLGWGW-UHFFFAOYSA-N
MW238.81 g/mol
LogP0.07
Rot. Bonds11

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

N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride (PubChem CID 5351186) has the molecular formula C10H27ClN4 and a molecular weight of 238.81 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride
PubChem CID5351186
Molecular FormulaC10H27ClN4
Molecular Weight238.81 g/mol
Exact Mass238.19
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4.ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;/h13-14H,1-12H2;1H
InChIKeyKBDDIZRDKLGWGW-UHFFFAOYSA-N
XLogP0.07
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.81
LogP ≤ 50.07
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;hydrochloride?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride (CID 5351186) is N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride is Cl.NCCCNCCCCNCCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride?
The InChIKey is KBDDIZRDKLGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4.ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;/h13-14H,1-12H2;1H.
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride?
N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride has a molecular weight of 238.81 g/mol, XLogP of 0.07, 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;hydrochloride is sourced from PubChem (CID 5351186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).