N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine

C11H20N2O — CID 54806819

IUPACN'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h4-5,8,12-13H,6-7,9H2,1-3H3
InChIKeyJBGNMGDWUNTUMS-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.76
Rot. Bonds5

About N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine

N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54806819) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54806819
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h4-5,8,12-13H,6-7,9H2,1-3H3
InChIKeyJBGNMGDWUNTUMS-UHFFFAOYSA-N
XLogP1.76
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.76
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'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809868
N'-(3-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54807793
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 54806819) is N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine is CC(C)(C)NCCNCc1ccco1.
What is the InChIKey of N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JBGNMGDWUNTUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h4-5,8,12-13H,6-7,9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).