N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

C12H22N2O — CID 116950035

IUPACN,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNC(c1ccc(C)o1)C(C)(C)CCN
InChIInChI=1S/C12H22N2O/c1-9-5-6-10(15-9)11(14-4)12(2,3)7-8-13/h5-6,11,14H,7-8,13H2,1-4H3
InChIKeyUSZLWYSXHYBGOI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.22
Rot. Bonds5

About N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (PubChem CID 116950035) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
PubChem CID116950035
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNC(c1ccc(C)o1)C(C)(C)CCN
InChIInChI=1S/C12H22N2O/c1-9-5-6-10(15-9)11(14-4)12(2,3)7-8-13/h5-6,11,14H,7-8,13H2,1-4H3
InChIKeyUSZLWYSXHYBGOI-UHFFFAOYSA-N
XLogP2.22
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949961
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950034
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
2-(3,3-dimethylbutan-2-yl)-5-methylfuran
CID 77433390
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The IUPAC name of N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (CID 116950035) is N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The canonical SMILES for N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is CNC(c1ccc(C)o1)C(C)(C)CCN.
What is the InChIKey of N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The InChIKey is USZLWYSXHYBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-5-6-10(15-9)11(14-4)12(2,3)7-8-13/h5-6,11,14H,7-8,13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116950035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).