N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine

C15H37N5 — CID 25107796

IUPACN'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
SMILESCCCCNCCNCCNCCCNCCNCC
InChIInChI=1S/C15H37N5/c1-3-5-7-17-12-14-20-15-13-19-9-6-8-18-11-10-16-4-2/h16-20H,3-15H2,1-2H3
InChIKeyDVUNXWLLFFUMTB-UHFFFAOYSA-N
MW287.50 g/mol
LogP0.14
Rot. Bonds17

About N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine

N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine (PubChem CID 25107796) has the molecular formula C15H37N5 and a molecular weight of 287.50 g/mol. Its IUPAC name is N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
PubChem CID25107796
Molecular FormulaC15H37N5
Molecular Weight287.50 g/mol
Exact Mass287.30
IUPAC NameN'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
SMILESCCCCNCCNCCNCCCNCCNCC
InChIInChI=1S/C15H37N5/c1-3-5-7-17-12-14-20-15-13-19-9-6-8-18-11-10-16-4-2/h16-20H,3-15H2,1-2H3
InChIKeyDVUNXWLLFFUMTB-UHFFFAOYSA-N
XLogP0.14
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine (CID 25107796) is N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine is CCCCNCCNCCNCCCNCCNCC.
What is the InChIKey of N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine?
The InChIKey is DVUNXWLLFFUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H37N5/c1-3-5-7-17-12-14-20-15-13-19-9-6-8-18-11-10-16-4-2/h16-20H,3-15H2,1-2H3.
What are the key properties of N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine?
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine has a molecular weight of 287.50 g/mol, XLogP of 0.14, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 25107796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).