1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride

C17H44Cl4N4 — CID 173339622

IUPAC1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride
SMILESCCCCCCC(NCCCNCC)NCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C17H40N4.4ClH/c1-4-7-8-9-12-17(20-15-10-13-18-5-2)21-16-11-14-19-6-3;;;;/h17-21H,4-16H2,1-3H3;4*1H
InChIKeyOEDQRKOQODSVBC-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.15
Rot. Bonds17

About 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride

1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride (PubChem CID 173339622) has the molecular formula C17H44Cl4N4 and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride.

Molecular Properties

Compound Name1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride
PubChem CID173339622
Molecular FormulaC17H44Cl4N4
Molecular Weight446.38 g/mol
Exact Mass444.23
IUPAC Name1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride
SMILESCCCCCCC(NCCCNCC)NCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C17H40N4.4ClH/c1-4-7-8-9-12-17(20-15-10-13-18-5-2)21-16-11-14-19-6-3;;;;/h17-21H,4-16H2,1-3H3;4*1H
InChIKeyOEDQRKOQODSVBC-UHFFFAOYSA-N
XLogP4.15
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-[4-(butylamino)butyl]-1-N-ethyl-4-N-[4-(ethylamino)butyl]butane-1,1,4-triamine
CID 87771515
N-ethyl-N'-heptan-2-ylpropane-1,3-diamine
CID 62835218
1-N,1-N'-diethyldecane-1,1-diamine
CID 141499810
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
1-(ethylamino)decan-4-ol
CID 159715833
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
ethane;N-ethylhexan-1-amine
CID 143229911
4-N-[4-(butylamino)butyl]-1-N,1-N'-diethylbutane-1,1,4-triamine
CID 87772787
lithium;N-ethylhexan-1-amine;hydride
CID 174419930

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride?
The IUPAC name of 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride (CID 173339622) is 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride.
What is the SMILES notation for 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride?
The canonical SMILES for 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride is CCCCCCC(NCCCNCC)NCCCNCC.Cl.Cl.Cl.Cl.
What is the InChIKey of 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride?
The InChIKey is OEDQRKOQODSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4.4ClH/c1-4-7-8-9-12-17(20-15-10-13-18-5-2)21-16-11-14-19-6-3;;;;/h17-21H,4-16H2,1-3H3;4*1H.
What are the key properties of 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride?
1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride has a molecular weight of 446.38 g/mol, XLogP of 4.15, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride is sourced from PubChem (CID 173339622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).