N'-(furan-2-ylmethyl)hexane-1,6-diamine

C11H20N2O — CID 61150200

IUPACN'-(furan-2-ylmethyl)hexane-1,6-diamine
SMILESNCCCCCCNCc1ccco1
InChIInChI=1S/C11H20N2O/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9,13H,1-4,7-8,10,12H2
InChIKeyAVDHRQKQUJTWGT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.89
Rot. Bonds8

About N'-(furan-2-ylmethyl)hexane-1,6-diamine

N'-(furan-2-ylmethyl)hexane-1,6-diamine (PubChem CID 61150200) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)hexane-1,6-diamine
PubChem CID61150200
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(furan-2-ylmethyl)hexane-1,6-diamine
SMILESNCCCCCCNCc1ccco1
InChIInChI=1S/C11H20N2O/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9,13H,1-4,7-8,10,12H2
InChIKeyAVDHRQKQUJTWGT-UHFFFAOYSA-N
XLogP1.89
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.89
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,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
CID 77029971
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)hexane-1,6-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)hexane-1,6-diamine (CID 61150200) is N'-(furan-2-ylmethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)hexane-1,6-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)hexane-1,6-diamine is NCCCCCCNCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)hexane-1,6-diamine?
The InChIKey is AVDHRQKQUJTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9,13H,1-4,7-8,10,12H2.
What are the key properties of N'-(furan-2-ylmethyl)hexane-1,6-diamine?
N'-(furan-2-ylmethyl)hexane-1,6-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)hexane-1,6-diamine is sourced from PubChem (CID 61150200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).