N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine

C15H36N4 — CID 58965168

IUPACN'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
SMILESCCCCNCCCNCCCNCCCNCC
InChIInChI=1S/C15H36N4/c1-3-5-9-17-12-7-13-19-15-8-14-18-11-6-10-16-4-2/h16-19H,3-15H2,1-2H3
InChIKeyUAEBPRUMPCCVGM-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.34
Rot. Bonds16

About N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine

N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine (PubChem CID 58965168) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
PubChem CID58965168
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC NameN'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
SMILESCCCCNCCCNCCCNCCCNCC
InChIInChI=1S/C15H36N4/c1-3-5-9-17-12-7-13-19-15-8-14-18-11-6-10-16-4-2/h16-19H,3-15H2,1-2H3
InChIKeyUAEBPRUMPCCVGM-UHFFFAOYSA-N
XLogP1.34
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.34
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-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
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-butylbutan-1-amine;hydrochloride
CID 3083954
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine (CID 58965168) is N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine is CCCCNCCCNCCCNCCCNCC.
What is the InChIKey of N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The InChIKey is UAEBPRUMPCCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-3-5-9-17-12-7-13-19-15-8-14-18-11-6-10-16-4-2/h16-19H,3-15H2,1-2H3.
What are the key properties of N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 1.34, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 58965168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).