N-ethyl-N',N'-dihydroxyhexane-1,6-diamine

C8H20N2O2 — CID 139878296

IUPACN-ethyl-N',N'-dihydroxyhexane-1,6-diamine
SMILESCCNCCCCCCN(O)O
InChIInChI=1S/C8H20N2O2/c1-2-9-7-5-3-4-6-8-10(11)12/h9,11-12H,2-8H2,1H3
InChIKeyFEBFPIRFJPBSGG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.24
Rot. Bonds8

About N-ethyl-N',N'-dihydroxyhexane-1,6-diamine

N-ethyl-N',N'-dihydroxyhexane-1,6-diamine (PubChem CID 139878296) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-ethyl-N',N'-dihydroxyhexane-1,6-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-dihydroxyhexane-1,6-diamine
PubChem CID139878296
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN-ethyl-N',N'-dihydroxyhexane-1,6-diamine
SMILESCCNCCCCCCN(O)O
InChIInChI=1S/C8H20N2O2/c1-2-9-7-5-3-4-6-8-10(11)12/h9,11-12H,2-8H2,1H3
InChIKeyFEBFPIRFJPBSGG-UHFFFAOYSA-N
XLogP1.24
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N',N'-dihydroxypropane-1,3-diamine
CID 87304503
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
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'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
ethane;N-ethylhexan-1-amine
CID 143229911
N,N'-bis(3-aminopropyl)-N'-[3-(ethylamino)propyl]heptane-1,7-diamine;pentahydrobromide
CID 158407936
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N-ethyl-7-iodoheptan-1-amine
CID 152937325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dihydroxyhexane-1,6-diamine?
The IUPAC name of N-ethyl-N',N'-dihydroxyhexane-1,6-diamine (CID 139878296) is N-ethyl-N',N'-dihydroxyhexane-1,6-diamine.
What is the SMILES notation for N-ethyl-N',N'-dihydroxyhexane-1,6-diamine?
The canonical SMILES for N-ethyl-N',N'-dihydroxyhexane-1,6-diamine is CCNCCCCCCN(O)O.
What is the InChIKey of N-ethyl-N',N'-dihydroxyhexane-1,6-diamine?
The InChIKey is FEBFPIRFJPBSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-2-9-7-5-3-4-6-8-10(11)12/h9,11-12H,2-8H2,1H3.
What are the key properties of N-ethyl-N',N'-dihydroxyhexane-1,6-diamine?
N-ethyl-N',N'-dihydroxyhexane-1,6-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dihydroxyhexane-1,6-diamine is sourced from PubChem (CID 139878296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).