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

C10H26N4 — CID 1103

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKeyPFNFFQXMRSDOHW-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.36
Rot. Bonds11

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

N,N'-bis(3-aminopropyl)butane-1,4-diamine (PubChem CID 1103) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine
PubChem CID1103
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCNCCCN
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKeyPFNFFQXMRSDOHW-UHFFFAOYSA-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 ≤ 500202.35
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine (CID 1103) is N,N'-bis(3-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine is NCCCNCCCCNCCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine?
The InChIKey is PFNFFQXMRSDOHW-UHFFFAOYSA-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.
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine?
N,N'-bis(3-aminopropyl)butane-1,4-diamine has a molecular weight of 202.35 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-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 1103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).