N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine

C15H28N2O — CID 62418488

IUPACN-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H28N2O/c1-7-12(2)17(6)11-14-9-8-13(18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyYPJCXCNJMWVHPH-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds6

About N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine

N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine (PubChem CID 62418488) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine
PubChem CID62418488
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H28N2O/c1-7-12(2)17(6)11-14-9-8-13(18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyYPJCXCNJMWVHPH-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62438068
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107760100
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275770
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 115987892
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine (CID 62418488) is N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine?
The InChIKey is YPJCXCNJMWVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-12(2)17(6)11-14-9-8-13(18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine?
N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 62418488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).