N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine

C12H22N2O — CID 61470977

IUPACN'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
SMILESNCCCCCCNCCc1ccco1
InChIInChI=1S/C12H22N2O/c13-8-3-1-2-4-9-14-10-7-12-6-5-11-15-12/h5-6,11,14H,1-4,7-10,13H2
InChIKeyUPAXPRDJZKGPGF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.93
Rot. Bonds9

About N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine

N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine (PubChem CID 61470977) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
PubChem CID61470977
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
SMILESNCCCCCCNCCc1ccco1
InChIInChI=1S/C12H22N2O/c13-8-3-1-2-4-9-14-10-7-12-6-5-11-15-12/h5-6,11,14H,1-4,7-10,13H2
InChIKeyUPAXPRDJZKGPGF-UHFFFAOYSA-N
XLogP1.93
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine (CID 61470977) is N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine is NCCCCCCNCCc1ccco1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine?
The InChIKey is UPAXPRDJZKGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-8-3-1-2-4-9-14-10-7-12-6-5-11-15-12/h5-6,11,14H,1-4,7-10,13H2.
What are the key properties of N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine?
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine is sourced from PubChem (CID 61470977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).