N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride

C14H34Cl4N4 — CID 169425811

IUPACN,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
SMILESCCNCCCNCC#CCNCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C14H30N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-4,7-14H2,1-2H3;4*1H
InChIKeyRDAIONOBCKHJGL-UHFFFAOYSA-N
MW400.27 g/mol
LogP1.86
Rot. Bonds12

About N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride

N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride (PubChem CID 169425811) has the molecular formula C14H34Cl4N4 and a molecular weight of 400.27 g/mol. Its IUPAC name is N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
PubChem CID169425811
Molecular FormulaC14H34Cl4N4
Molecular Weight400.27 g/mol
Exact Mass398.15
IUPAC NameN,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
SMILESCCNCCCNCC#CCNCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C14H30N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-4,7-14H2,1-2H3;4*1H
InChIKeyRDAIONOBCKHJGL-UHFFFAOYSA-N
XLogP1.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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,N'-diethylpentane-1,5-diamine
CID 15013244
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethylpent-4-yn-1-amine
CID 12615597
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N-ethylicosa-5,7-diyn-1-amine
CID 87662527
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride?
The IUPAC name of N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride (CID 169425811) is N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride.
What is the SMILES notation for N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride?
The canonical SMILES for N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride is CCNCCCNCC#CCNCCCNCC.Cl.Cl.Cl.Cl.
What is the InChIKey of N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride?
The InChIKey is RDAIONOBCKHJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-4,7-14H2,1-2H3;4*1H.
What are the key properties of N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride?
N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride has a molecular weight of 400.27 g/mol, XLogP of 1.86, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride is sourced from PubChem (CID 169425811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).