N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

C12H22N2O — CID 62559417

IUPACN'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1ccco1
InChIInChI=1S/C12H22N2O/c1-4-11(2)14(3)8-7-13-10-12-6-5-9-15-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3
InChIKeySOKUKOPZMBUKQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds7

About N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62559417) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62559417
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1ccco1
InChIInChI=1S/C12H22N2O/c1-4-11(2)14(3)8-7-13-10-12-6-5-9-15-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3
InChIKeySOKUKOPZMBUKQU-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 112666114
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62984222
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
2-butan-2-ylsulfonyl-N-(furan-2-ylmethyl)ethanamine
CID 106512680
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 62559417) is N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is CCC(C)N(C)CCNCc1ccco1.
What is the InChIKey of N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is SOKUKOPZMBUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(2)14(3)8-7-13-10-12-6-5-9-15-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3.
What are the key properties of N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62559417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).