N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

C13H24N2O — CID 116905767

IUPACN,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCc1ccc(C(CC(C)(C)CN)N(C)C)o1
InChIInChI=1S/C13H24N2O/c1-10-6-7-12(16-10)11(15(4)5)8-13(2,3)9-14/h6-7,11H,8-9,14H2,1-5H3
InChIKeyYCEANQWREOWDSG-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.57
Rot. Bonds5

About N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (PubChem CID 116905767) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
PubChem CID116905767
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCc1ccc(C(CC(C)(C)CN)N(C)C)o1
InChIInChI=1S/C13H24N2O/c1-10-6-7-12(16-10)11(15(4)5)8-13(2,3)9-14/h6-7,11H,8-9,14H2,1-5H3
InChIKeyYCEANQWREOWDSG-UHFFFAOYSA-N
XLogP2.57
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
CID 116907489
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668547
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
CID 115204362
1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 61377688
N-cyclopentyl-N-methyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 43266988
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The IUPAC name of N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (CID 116905767) is N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is Cc1ccc(C(CC(C)(C)CN)N(C)C)o1.
What is the InChIKey of N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The InChIKey is YCEANQWREOWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-6-7-12(16-10)11(15(4)5)8-13(2,3)9-14/h6-7,11H,8-9,14H2,1-5H3.
What are the key properties of N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116905767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).