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

C9H24N4 — CID 118361903

IUPACN'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCNCCN
InChIInChI=1S/C9H24N4/c10-4-3-8-12-6-1-2-7-13-9-5-11/h12-13H,1-11H2
InChIKeyFHEAEPYSGRXDMU-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.75
Rot. Bonds10

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

N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine (PubChem CID 118361903) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
PubChem CID118361903
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC NameN'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCNCCN
InChIInChI=1S/C9H24N4/c10-4-3-8-12-6-1-2-7-13-9-5-11/h12-13H,1-11H2
InChIKeyFHEAEPYSGRXDMU-UHFFFAOYSA-N
XLogP-0.75
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.75
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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Related Compounds

N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
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-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040
4-(3-aminopropylamino)butan-1-ol
CID 10725491
N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
CID 165066014

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine?
The IUPAC name of N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine (CID 118361903) is N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine is NCCCNCCCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine?
The InChIKey is FHEAEPYSGRXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c10-4-3-8-12-6-1-2-7-13-9-5-11/h12-13H,1-11H2.
What are the key properties of N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine?
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.75, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 118361903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).